2-(Ethyldithio)benzoic acid
Basic information
- CAS
26929-63-5- Standard SMILES
CCSSc1ccccc1C(=O)O- InChIKey
LNGQPNABYYRMBF-UHFFFAOYSA-N- Molecular formula
- C9H10O2S2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.0122219
Names & identifiers
- Preferred name
- 2-(Ethyldithio)benzoic acid
- IUPAC
- 2-(ethyldisulfanyl)benzoic acid
Names & synonyms
2-(Ethyldithio)benzoic acid26929-63-52-(Ethyldisulfanyl)benzoic acidVCI99Y2SLKUNII-VCI99Y2SLKNSC 342013NSC342013NSC-342013Benzoic acid,2-(ethyldithio)-2-(ethyldisulfanyl)benzoicacido-Carboxyphenyl ethyl disulfideSCHEMBL19334145
Show more names
Benzoic acid, 2-(ethyldithio)-DTXSID60181425LNGQPNABYYRMBF-UHFFFAOYSA-N2-(Ethyldisulfanyl)benzoic acid #BENZOIC ACID, O-(ETHYLDITHIO)-DS-007137
Database identifiers
- CAS
26929-63-5- PubChem CID
- 334890
- DTXSID
DTXSID60181425- UNII
- VCI99Y2SLK
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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