4-Amino-2-sulfanylbenzoic acid
Basic information
- CAS
78334-06-2- Standard SMILES
Nc1ccc(C(=O)O)c(S)c1- InChIKey
QTXSDPJOPCWEME-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.01974964
Names & identifiers
- Preferred name
- 4-Amino-2-sulfanylbenzoic acid
- IUPAC
- 4-amino-2-sulfanylbenzoic acid
Names & synonyms
4-amino-2-sulfanylbenzoic acid78334-06-2DTXSID00274845RefChem:289864DTXCID602011174-Amino-2-mercaptobenzoic acidBenzoic acid, 4-amino-2-mercapto-4-azanyl-2-sulfanyl-benzoic acid4-Amino-2-mercaptobenzoicacidSCHEMBL103981394-amino-2-sulfanyl-benzoic acidDDA33406
Show more names
AKOS022135658AT21193EN300-1709591D0U
Database identifiers
- CAS
78334-06-2- PubChem CID
- 28193
- DTXSID
DTXSID00274845
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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