S-(benzenesulfonamidomethyl) benzenecarbothioate
Basic information
- CAS
23853-42-1- Standard SMILES
O=C(SCNS(=O)(=O)c1ccccc1)c1ccccc1- InChIKey
GAUQIABXMAXCEE-UHFFFAOYSA-N- Molecular formula
- C14H13NO3S2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.03368562
Names & identifiers
- Preferred name
- S-(benzenesulfonamidomethyl) benzenecarbothioate
- IUPAC
- S-(benzenesulfonamidomethyl) benzenecarbothioate
Names & synonyms
23853-42-1S-(benzenesulfonamidomethyl) benzenecarbothioateNSC280654DTXSID80314091NSC-280654S-[(Benzenesulfonamido)methyl] benzenecarbothioate
Database identifiers
- CAS
23853-42-1- PubChem CID
- 322585
- DTXSID
DTXSID80314091
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
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Related reactions
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Compound notes
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