Basic information
- CAS
14159-48-9- Standard SMILES
CC(C)S(=O)(=O)O- InChIKey
HNDXKIMMSFCCFW-UHFFFAOYSA-N- Molecular formula
- C3H8O3S
- Average molar mass
- 124.16 g/mol
- Monoisotopic mass
- 124.01941529
Overview
Propane-2-sulphonic acid is an alkanesulfonic acid in which the sulfonic acid group is attached to a propan-2-yl group. It is a conjugate acid of a propane-2-sulfonate.
Names & identifiers
- Preferred name
- 2-Propanesulfonic acid
- IUPAC
- propane-2-sulfonic acid
- English name
- propane-2-sulphonic acid
- Molecular formula
- C3H8O3S
- Molecular weight
- 124.16
Names & synonyms
2-Propanesulfonic acidPropane-2-sulphonic acid14159-48-9isopropanesulfonic acidHY79DZ5K84CHEBI:62079DTXSID00161766RefChem:1064218DTXCID7084257238-001-5propane-2-sulfonic acidisopropylsulfonic acid
Show more names
Isopropyl sulfonic acid
EINECS 238-001-5UNII-HY79DZ5K84Propane sulfateDimethylsulfomethanSCHEMBL5353SCHEMBL5354SCHEMBL700830SCHEMBL1100526
Database identifiers
- CAS
14159-48-9- PubChem CID
- 79392
- DTXSID
DTXSID00161766- ChEBI
CHEBI:62079- UNII
- HY79DZ5K84
- EC Number
- 238-001-5
- Nikkaji
- J216.885E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -37 °C · -37°C
- Boiling point
- 200.95 °C · 200.95°C (rough estimate)
- Density
- 1.187 · 1.1870
- refractive index
- 1.4332 · 1.4332 (estimate)
- form
- liquid
- pka
- 1.91 · 1.91±0.50(Predicted)
- FDA UNII
- 79 DZ5K84 · HY79DZ5K84
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: An alkanesulfonic acid in which the sulfonic acid group is attached to a propan-2-yl group.
Related reactions
1 records
Compound notes
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