Basic information
- CAS
5301-13-3- Standard SMILES
Nc1ccccc1SSc1ccccc1C(=O)O- InChIKey
WJWAUWVAOASXHV-UHFFFAOYSA-N- Molecular formula
- C13H11NO2S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.02312094
Names & identifiers
- Preferred name
- 2-((2-Aminophenyl)dithio)benzoic acid
- IUPAC
- 2-[(2-aminophenyl)disulfanyl]benzoic acid
Names & synonyms
2-((2-Aminophenyl)dithio)benzoic acid5301-13-37PZZ9D3PMUUNII-7PZZ9D3PMUNSC 342012NSC-342012DTXSID60201056BENZOIC ACID, O-((O-AMINOPHENYL)DITHIO)-BENZOIC ACID, 2-((2-AMINOPHENYL)DITHIO)-RefChem:83659DTXCID601235472-[(2-aminophenyl)disulfanyl]benzoic acid
Show more names
NSC342012DS-003185
Database identifiers
- CAS
5301-13-3- PubChem CID
- 334889
- DTXSID
DTXSID60201056- UNII
- 7PZZ9D3PMU
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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