Basic information
- Standard SMILES
O=C(O)c1cc(S)ccc1Cl- InChIKey
KQMNSWRPVWLTKM-UHFFFAOYSA-N- Molecular formula
- C7H5ClO2S
- Average molar mass
- 188.63 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-sulfanylbenzoic acid
- IUPAC
- 2-chloro-5-sulfanylbenzoic acid
Names & synonyms
2-chloro-5-sulfanylbenzoic acid17642-17-02-chloro-5-mercaptobenzoic acid2-chloro-5-sulfanylbenzoicacidSCHEMBL10507474KQMNSWRPVWLTKM-UHFFFAOYSA-NAKOS033596665DB-330160CS-0265232EN300-97150
Database identifiers
- PubChem CID
- 15086346
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Related reactions
2 records
Compound notes
Loading…