Basic information
- CAS
24687-42-1- Standard SMILES
O=S(=O)(O)CCCCS- InChIKey
ISOQNEPBGIJCLU-UHFFFAOYSA-N- Molecular formula
- C4H10O3S2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.00713652
Names & identifiers
- Preferred name
- 4-Mercaptobutane-1-sulphonic acid
- IUPAC
- 4-sulfanylbutane-1-sulfonic acid
- English name
- 4-mercaptobutane-1-sulphonic acid
- Molecular formula
- C4H10O3S2
- Molecular weight
- 170.25
Names & synonyms
24687-42-14-Mercaptobutane-1-sulphonic acid4-sulfanylbutane-1-sulfonic acid1-Butanesulfonic acid, 4-mercapto-4-MERCAPTOBUTANE-1-SULFONIC ACID4-mercapto-1-butanesulfonic acidEINECS 246-412-6PRA9L5PF5YSCHEMBL260865SCHEMBL513573SCHEMBL16685337DTXSID00179427
Show more names
4-MERCAPTOBUTANESULPHONICACID1-Butanesulfonic acid,4-mercapto-
ISOQNEPBGIJCLU-UHFFFAOYSA-NAKOS015995389NS00027718
Database identifiers
- CAS
24687-42-1- PubChem CID
- 90584
- DTXSID
DTXSID00179427- UNII
- PRA9L5PF5Y
- EC Number
- 246-412-6
- Nikkaji
- J286.377D
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Density
- 1.338 · 1.338
- pka
- 1.77 · 1.77±0.50(Predicted)
Chemistry & industry
Suppliers2 total
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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