Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 5Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9856
- Core Entity Id
- 14123
- Source Entity Count
- 1
- Preferred Name
- Mee
- Name En
- Pubchem Id
- 878
- Smiles Canonical
- CS
- Molecular Formula
- CH4S
- Molecular Weight
- 48.1100
- Inchikey
- LSDPWZHWYPCBBB-UHFFFAOYSA-N
- Inchi
- InChI=1S/CH4S/c1-2/h2H,1H3
- Isomeric Smiles
- CS
- Cas Id
- 74-93-1
- Ob Score
- 16.7140
- Mol Logp
- 0.5460
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mee
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
MEE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mee
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mee
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mee
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl Mercaptan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl mercaptan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl mercaptan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
methyl mercaptan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
17719-48-1
Role
alias
Source
TCMBank
Preferred
No
Name
295515_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-01-00-01273 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
63933-47-1
Role
alias
Source
TCMBank
Preferred
No
Name
67782_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
74-93-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
74-93-1
Role
alias
Source
TCMBank
Preferred
No
Name
74-93-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS-110900
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1696840
Role
alias
Source
TCMBank
Preferred
No
Name
C00409
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16007
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-822-1
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2716
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 813
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/CH4S/c1-2/h2H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
MEE
Role
alias
Source
TCMBank
Preferred
No
Name
METHANETHIOL
Role
alias
Source
TCMBank
Preferred
No
Name
METHYL MERCAPTAN
Role
alias
Source
HERB_v2
Preferred
No
Name
Mercaptan C1
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptan methylique [French]
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptomethane
Role
alias
Source
TCMBank
Preferred
No
Name
Mercaptomethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Mercaptomethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methaanthiol [Dutch]
Role
alias
Source
TCMBank
Preferred
No
Name
Methanthiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methanthiol
Role
alias
Source
HERB_v2
Preferred
No
Name
Methanthiol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Methvtiolo [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl mercaptan (natural)
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl mercaptan [UN1064] [Poison gas]
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl sulfhydrate
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl sulfhydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl sulfhydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methylmercaptaan [Dutch]
Role
alias
Source
TCMBank
Preferred
No
Name
Methylmercaptan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylthioalcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Metilmercaptano
Role
alias
Source
itcmdb_public
Preferred
No
Name
Metilmercaptano
Role
alias
Source
HERB_v2
Preferred
No
Name
Metilmercaptano [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Metilmercaptano [Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-68072
Role
alias
Source
TCMBank
Preferred
No
Name
NSC229573
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste no. U153
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste number U153
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL11319151
Role
alias
Source
TCMBank
Preferred
No
Name
Thiomethane
Role
alias
Source
TCMBank
Preferred
No
Name
Thiomethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Thiomethanol
Role
alias
Source
TCMBank
Preferred
No
Name
Thiomethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thiomethyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thiomethyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Thiomethyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
UN1064
Role
alias
Source
TCMBank
Preferred
No
Name
c0238
Role
alias
Source
TCMBank
Preferred
No
Name
methanethiol
Role
alias
Source
HERB_v2
Preferred
No
Name
methanethiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl-mercaptan
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Methyl Mercaptan17719-48-1295515_ALDRICH4-01-00-01273 (Beilstein Handbook Reference)63933-47-167782_FLUKA74-93-1AIDS-110900BRN 1696840C00409CHEBI:16007EINECS 200-822-1FEMA No. 2716HSDB 813InChI=1/CH4S/c1-2/h2H,1HMETHANETHIOLMercaptan C1Mercaptan methylique [French]MercaptomethaneMethaanthiol [Dutch]MethanthiolMethanthiol [German]Methvtiolo [Italian]Methyl mercaptan (natural)Methyl mercaptan [UN1064] [Poison gas]Methyl sulfhydrateMethylmercaptaan [Dutch]MethylmercaptanMethylthioalcoholMetilmercaptanoMetilmercaptano [Italian]Metilmercaptano [Spanish]NSC-68072NSC229573RCRA waste no. U153RCRA waste number U153SCHEMBL11319151ThiomethaneThiomethanolThiomethyl alcoholUN1064c0238methyl-mercaptan
Cross References
Trusted external identifiers retained for this final record.
Cas
74-93-1
Herb
HBIN034638HBIN035312
Npass
NPC125643NPC96532
Tcmid
14573
Tcmsp
MOL010678
Sym Map
SMIT11686SMIT16670
Pub Chem
878
Tcmbank
TCMBANKIN061935
Etcm Ingredient
MEE
Itcmdb Generated
ITX-INGREDIENT-48C3F7ADFF19ITX-INGREDIENT-951F0B998C2C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/CH4S/c1-2/h2H,1H3
Mol Wt
48.11000000000001
Cas Id
74-93-1
Smiles
CS
Mol Log P
0.546
Version
v1,v2
In Ch Ikey
LSDPWZHWYPCBBB-UHFFFAOYSA-N
Ob Score
16.71416.7143695516.71437
Suppress
0
Num Hdonors
1
Drug Likeness
0.379
Num Hacceptors
1
Isomeric Smiles
CS
Molecule Weight
48.12
Canonical Smiles
CS
Herb Alias Names
methanethiolMETHYL MERCAPTANMethylmercaptanMercaptomethane74-93-1Methyl sulfhydrateMethanthiolThiomethanolThiomethyl alcoholMetilmercaptano
Molecular Weight
48.000
Molecular Weight
48.11 g/mol
Molecular Formula
CH4S
Molecular Formula
CH3SH
Molecular Formula
CH4S
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.379