Basic information
- CAS
64058-62-4- Standard SMILES
NS(=O)(=O)c1ccc(S)cc1- InChIKey
FBAKLWSUNAWWQT-UHFFFAOYSA-N- Molecular formula
- C6H7NO2S2
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 188.99182081
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-mercapto-
- IUPAC
- 4-sulfanylbenzenesulfonamide
- English name
- Benzenesulfonamide, 4-mercapto- (9CI)
- Molecular formula
- C6H7NO2S2
- Molecular weight
- 189.26
Names & synonyms
Benzenesulfonamide, p-mercapto-64058-62-4Benzenesulfonamide, 4-mercapto-DTXSID50214231RefChem:1078665DTXCID501367224-sulfanylbenzenesulfonamide4-mercaptobenzenesulfonamideBenzenesulfonamide, 4-mercapto- (9CI)USAF LO-1p-Mercaptobenzene sulfonamideBRN 3250260
Show more names
USAF-LO-1Benzenesulfonamide,4-mercapto-
p-mercaptobenzenesulfonamide4-sulfanylbenzene-1-sulfonamideSCHEMBL1804512SCHEMBL1804514SCHEMBL6847821FBAKLWSUNAWWQT-UHFFFAOYSA-NDB-325879
Database identifiers
- CAS
64058-62-4- PubChem CID
- 116503
- DTXSID
DTXSID50214231- Nikkaji
- J62.176E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 374.9 · 374.9±44.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- 5.16 · 5.16±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Related reactions
2 records
Compound notes
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