Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36786
- Core Entity Id
- 44085
- Source Entity Count
- 1
- Preferred Name
- Wln: rsr
- Name En
- Pubchem Id
- 8766
- Smiles Canonical
- C1=CC=C(C=C1)SC2=CC=CC=C2
- Molecular Formula
- C12H10S
- Molecular Weight
- 186.2790
- Inchikey
- LTYMSROWYAPPGB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
- Isomeric Smiles
- C1=CC=C(C=C1)SC2=CC=CC=C2
- Cas Id
- 139-66-2
- Ob Score
- 49.9678
- Mol Logp
- 3.8378
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
WLN: RSR
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Wln: Rsr
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Wln: rsr
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Wln: rsr
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(phenylthio)benzene
Role
alias
Source
TCMBank
Preferred
No
Name
1,1'-Thiobis(benzene)
Role
alias
Source
TCMBank
Preferred
No
Name
1,1'-sulfanediyldibenzene
Role
alias
Source
TCMBank
Preferred
No
Name
1,1'-thiodibenzene
Role
alias
Source
TCMBank
Preferred
No
Name
139-66-2
Role
alias
Source
HERB_v2
Preferred
No
Name
139-66-2
Role
alias
Source
TCMBank
Preferred
No
Name
139-66-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
36720_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
43320_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-10564
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, 1,1'-thiobis-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, 1,1'-thiobis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzene, 1,1'-thiobis-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:38959
Role
alias
Source
TCMBank
Preferred
No
Name
DIPHENYLSULFANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIPHENYLSULFANE
Role
alias
Source
HERB_v2
Preferred
No
Name
Diphenyl monosulfide
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenyl sulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
Diphenyl sulfide
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenyl sulphide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diphenyl sulphide
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenyl sulphide
Role
alias
Source
HERB_v2
Preferred
No
Name
Diphenyl thioether
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenyl thioether
Role
alias
Source
HERB_v2
Preferred
No
Name
Diphenyl thioether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diphenylmercaptan
Role
alias
Source
HERB_v2
Preferred
No
Name
Diphenylmercaptan
Role
alias
Source
TCMBank
Preferred
No
Name
Diphenylmercaptan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diphenylsulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diphenylthiamethane
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 205-371-4
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 4568
Role
alias
Source
TCMBank
Preferred
No
Name
P35316_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
PHENYLSULFIDE
Role
alias
Source
TCMBank
Preferred
No
Name
Phenyl sulfide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenyl sulfide
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylthiobenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylthiobenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
SULFIDE,DIPHENYL
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01679972
Role
alias
Source
TCMBank
Preferred
No
Name
phenylsulfanylbenzene
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(phenylthio)benzene1,1'-Thiobis(benzene)1,1'-sulfanediyldibenzene1,1'-thiodibenzene139-66-236720_RIEDEL43320_FLUKAAI3-10564Benzene, 1,1'-thiobis-CHEBI:38959DIPHENYLSULFANEDiphenyl monosulfideDiphenyl sulfideDiphenyl sulphideDiphenyl thioetherDiphenylmercaptanDiphenylsulfideDiphenylthiamethaneEINECS 205-371-4InChI=1/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10NSC 4568P35316_ALDRICHPHENYLSULFIDEPhenyl sulfidePhenylthiobenzeneSULFIDE,DIPHENYLZINC01679972phenylsulfanylbenzene
Cross References
Trusted external identifiers retained for this final record.
Cas
139-66-2
Herb
HBIN048357
Tcmsp
MOL005903
Sym Map
SMIT07596
Pub Chem
8766
Tcmbank
TCMBANKIN002918
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Mol Wt
186.279
Cas Id
139-66-2
Smiles
C1=CC=C(C=C1)SC2=CC=CC=C2
Mol Log P
3.837800000000002
Version
v1,v2
In Ch Ikey
LTYMSROWYAPPGB-UHFFFAOYSA-N
Ob Score
49.967773749.96777449.968
Suppress
0
Num Hdonors
0
Drug Likeness
0.686
Num Hacceptors
1
Isomeric Smiles
C1=CC=C(C=C1)SC2=CC=CC=C2
Molecule Weight
186.29
Canonical Smiles
C1=CC=C(C=C1)SC2=CC=CC=C2
Herb Alias Names
Diphenyl sulfidePhenyl sulfide139-66-2Diphenyl sulphideDIPHENYLSULFANEBenzene, 1,1'-thiobis-Diphenyl thioetherDiphenylmercaptanPhenylthiobenzeneDiphenylsulfide
Molecular Weight
186.27
Molecular Formula
C12H10S
Molecular Formula
C12H10S
Num Rotatable Bonds
2