2-((2-Amino-2-carboxyethyl)dithio)benzoic acid
Basic information
- CAS
26885-62-1- Standard SMILES
NC(CSSc1ccccc1C(=O)O)C(=O)O- InChIKey
SYCGYWFLRDXWDE-UHFFFAOYSA-N- Molecular formula
- C10H11NO4S2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.01295018
Names & identifiers
- Preferred name
- 2-((2-Amino-2-carboxyethyl)dithio)benzoic acid
- IUPAC
- 2-[(2-amino-2-carboxyethyl)disulfanyl]benzoic acid
Names & synonyms
2-((2-Amino-2-carboxyethyl)dithio)benzoic acid26885-62-1NSC 342023NSC342023DS-0071412-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]benzoic acidBenzoic acid,2-[(2-amino-2-carboxyethyl)dithio]-, (r)-(9ci)
Database identifiers
- CAS
26885-62-1- PubChem CID
- 494258
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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