2-((Methyl(dioxido)sulfanyl)thio)benzoic acid
Basic information
- CAS
37556-50-6- Standard SMILES
CS(=O)(=O)Sc1ccccc1C(=O)O- InChIKey
BWTDRLITNJCZIX-UHFFFAOYSA-N- Molecular formula
- C8H8O4S2
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 231.98640108
Names & identifiers
- Preferred name
- 2-((Methyl(dioxido)sulfanyl)thio)benzoic acid
- IUPAC
- 2-methylsulfonylsulfanylbenzoic acid
Names & synonyms
37556-50-62-((Methyl(dioxido)sulfanyl)thio)benzoic acidNSC125982NSC 1259822-methylsulfonylsulfanylbenzoic acidDTXSID00190990NSC-1259822-[(Methanesulfonyl)sulfanyl]benzoic acid
Database identifiers
- CAS
37556-50-6- PubChem CID
- 277286
- DTXSID
DTXSID00190990
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 304
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…