Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 13Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25311
- Core Entity Id
- 31326
- Source Entity Count
- 1
- Preferred Name
- Mbt
- Name En
- Pubchem Id
- 697993
- Smiles Canonical
- C1=CC=C2C(=C1)NC(=S)S2
- Molecular Formula
- C7H5NS2
- Molecular Weight
- 167.2580
- Inchikey
- YXIWHUQXZSMYRE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
- Isomeric Smiles
- C1=CC=C2C(=C1)NC(=S)S2
- Cas Id
- 112242-83-8
- Ob Score
- 47.7309
- Mol Logp
- 2.9589
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mbt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
MBT
Role
preferred
Source
TCMBank
Preferred
Yes
Name
MBT
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mbt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mbt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mbt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3-Benzothiazole-2-thiol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Benzothiazole-2-thiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Benzothiazole-2-thiol
Role
alias
Source
TCMBank
Preferred
No
Name
112242-83-8
Role
alias
Source
TCMBank
Preferred
No
Name
118090-09-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
118090-09-8
Role
alias
Source
HERB_v2
Preferred
No
Name
119170-41-1
Role
alias
Source
TCMBank
Preferred
No
Name
12640-90-3
Role
alias
Source
TCMBank
Preferred
No
Name
149-30-4
Role
alias
Source
TCMBank
Preferred
No
Name
149-30-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
149-30-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2(3H)-Benzothiazolethione
Role
alias
Source
TCMBank
Preferred
No
Name
2-Benzothiazolethiol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Benzothiazolethiol
Role
alias
Source
TCMBank
Preferred
No
Name
2-Benzothiazolethiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Benzothiazolinethione
Role
alias
Source
TCMBank
Preferred
No
Name
2-Benzothiazolyl mercaptan
Role
alias
Source
TCMBank
Preferred
No
Name
2-MBT
Role
alias
Source
TCMBank
Preferred
No
Name
2-Mercaptobenzothiazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Mercaptobenzothiazole
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Mercaptobenzothiazole
Role
alias
Source
TCMBank
Preferred
No
Name
2-Mercaptobenzothiazole (in liquid mixtures)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Mercaptobenzthiazole
Role
alias
Source
TCMBank
Preferred
No
Name
2-Mercptobenzothiazole
Role
alias
Source
TCMBank
Preferred
No
Name
2-Merkaptobenzotiazol [Polish]
Role
alias
Source
TCMBank
Preferred
No
Name
2-Merkaptobenzthiazol [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
3H-1,3-benzothiazole-2-thione
Role
alias
Source
TCMBank
Preferred
No
Name
4464-58-8
Role
alias
Source
TCMBank
Preferred
No
Name
55199-93-4
Role
alias
Source
TCMBank
Preferred
No
Name
63720_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
63730_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
76154_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81605-65-4
Role
alias
Source
TCMBank
Preferred
No
Name
AG 63
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-00985
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS019694
Role
alias
Source
TCMBank
Preferred
No
Name
Accel M
Role
alias
Source
TCMBank
Preferred
No
Name
Accelerator M
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003449
Role
alias
Source
TCMBank
Preferred
No
Name
Benzo[d]thiazole-2(3H)-thione
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo[d]thiazole-2(3H)-thione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo[d]thiazole-2-thiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo[d]thiazole-2-thiol
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzothiazole, mercapto-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzothiazole-2-thiol
Role
alias
Source
TCMBank
Preferred
No
Name
Benzothiazole-2-thione
Role
alias
Source
TCMBank
Preferred
No
Name
Benzothiazolethiol
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzothiazolethiol
Role
alias
Source
TCMBank
Preferred
No
Name
Benzothiazolethiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
C14437
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 891
Role
alias
Source
TCMBank
Preferred
No
Name
Captax
Role
alias
Source
HERB_v2
Preferred
No
Name
Captax
Role
alias
Source
itcmdb_public
Preferred
No
Name
Captax
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 541
Role
alias
Source
TCMBank
Preferred
No
Name
Dermacid
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006824
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 205-736-8
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 051701
Role
alias
Source
TCMBank
Preferred
No
Name
Ekagom G
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 4025
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_001768
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_002149
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004717
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_007285
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002669
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_001216
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_002149
Role
alias
Source
TCMBank
Preferred
No
Name
Kaptaks
Role
alias
Source
TCMBank
Preferred
No
Name
Kaptax
Role
alias
Source
TCMBank
Preferred
No
Name
Kaptax [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
M3302_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
MERCAPTOBENZOTHIAZOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
MERCAPTOBENZOTHIAZOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
Mebetizole
Role
alias
Source
TCMBank
Preferred
No
Name
Mebithizol
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptobenzothiazol
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptobenzothiazole
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptobenzothiazole (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptobenzthiazole
Role
alias
Source
TCMBank
Preferred
No
Name
Mertax
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091643-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091643-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091643-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091643-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C56519
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 2041
Role
alias
Source
TCMBank
Preferred
No
Name
Nuodeb 84
Role
alias
Source
TCMBank
Preferred
No
Name
Nuodex 84
Role
alias
Source
TCMBank
Preferred
No
Name
Pennac MBT powder
Role
alias
Source
TCMBank
Preferred
No
Name
Pneumax MBT
Role
alias
Source
TCMBank
Preferred
No
Name
Rokon
Role
alias
Source
TCMBank
Preferred
No
Name
Rotax
Role
alias
Source
TCMBank
Preferred
No
Name
Royal MBT
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001851
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1504225
Role
alias
Source
TCMBank
Preferred
No
Name
ST023801
Role
alias
Source
TCMBank
Preferred
No
Name
ST5308219
Role
alias
Source
TCMBank
Preferred
No
Name
Soxinol M
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000728
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001666
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001665
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_000628
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_001400
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001669
Role
alias
Source
TCMBank
Preferred
No
Name
Sulfadene
Role
alias
Source
TCMBank
Preferred
No
Name
Thiotax
Role
alias
Source
TCMBank
Preferred
No
Name
Usaf gy-3
Role
alias
Source
TCMBank
Preferred
No
Name
Usaf xr-29
Role
alias
Source
TCMBank
Preferred
No
Name
Vulkacit M
Role
alias
Source
TCMBank
Preferred
No
Name
Vulkacit Mercapto
Role
alias
Source
TCMBank
Preferred
No
Name
Vulkacit Mercapto/C
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T56 BN DSJ CSH
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00074832
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00100105
Role
alias
Source
TCMBank
Preferred
No
Name
c1019
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Benzothiazole-2-thiol112242-83-8118090-09-8119170-41-112640-90-3149-30-42(3H)-Benzothiazolethione2-Benzothiazolethiol2-Benzothiazolinethione2-Benzothiazolyl mercaptan2-MBT2-Mercaptobenzothiazole2-Mercaptobenzothiazole (in liquid mixtures)2-Mercaptobenzthiazole2-Mercptobenzothiazole2-Merkaptobenzotiazol [Polish]2-Merkaptobenzthiazol [Czech]3H-1,3-benzothiazole-2-thione4464-58-855199-93-463720_FLUKA63730_FLUKA76154_FLUKA81605-65-4AG 63AI3-00985AIDS019694Accel MAccelerator MBSPBio_003449Benzo[d]thiazole-2(3H)-thioneBenzo[d]thiazole-2-thiolBenzothiazole, mercapto-Benzothiazole-2-thiolBenzothiazole-2-thioneBenzothiazolethiolC14437CCRIS 891CaptaxCaswell No. 541DermacidDivK1c_006824EINECS 205-736-8EPA Pesticide Chemical Code 051701Ekagom GHSDB 4025KBio1_001768KBio2_002149KBio2_004717KBio2_007285KBio3_002669KBioGR_001216KBioSS_002149KaptaksKaptaxKaptax [Czech]M3302_ALDRICHMERCAPTOBENZOTHIAZOLEMebetizoleMebithizolMercaptobenzothiazolMercaptobenzothiazole (VAN)MercaptobenzthiazoleMertaxNCGC00091643-01NCGC00091643-02NCGC00091643-04NCGC00091643-05NCI-C56519NSC 2041Nuodeb 84Nuodex 84Pennac MBT powderPneumax MBTRokonRotaxRoyal MBTSPBio_001851SPECTRUM1504225ST023801ST5308219Soxinol MSpecPlus_000728Spectrum2_001666Spectrum3_001665Spectrum4_000628Spectrum5_001400Spectrum_001669SulfadeneThiotaxUsaf gy-3Usaf xr-29Vulkacit MVulkacit MercaptoVulkacit Mercapto/CWLN: T56 BN DSJ CSHZINC00074832ZINC00100105c1019
Cross References
Trusted external identifiers retained for this final record.
Cas
112242-83-8
Herb
HBIN034594
Tcmsp
MOL011989
Sym Map
SMIT12809
Pub Chem
697993
Tcmbank
TCMBANKIN018686
Etcm Ingredient
MBT
Itcmdb Generated
ITX-INGREDIENT-0FB4A5FFC508
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Mol Wt
167.258
Cas Id
112242-83-8
Smiles
C1=CC=C2C(=C1)NC(=S)S2
Mol Log P
2.95889
Version
v1,v2
In Ch Ikey
YXIWHUQXZSMYRE-UHFFFAOYSA-N
Ob Score
47.73094147.7309413947.731
Suppress
0
Num Hdonors
1
Drug Likeness
0.596
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)NC(=S)S2
Molecule Weight
167.27
Canonical Smiles
C1=CC=C2C(=C1)NC(=S)S2
Herb Alias Names
2-Mercaptobenzothiazole149-30-42-BenzothiazolethiolBenzo[d]thiazole-2-thiolBenzo[d]thiazole-2(3H)-thioneBenzothiazolethiolCaptax1,3-Benzothiazole-2-thiol118090-09-8MERCAPTOBENZOTHIAZOLE
Molecular Weight
166.990
Molecular Weight
167.25
Molecular Formula
C7H5NS2
Molecular Formula
C7H5NS2
Molecular Formula
C7H5NS2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.035
Quantitative Estimate Of Drug Likeness（Qed）
0.596