Basic information
- CAS
5455-58-3- Standard SMILES
CC(C)(C)CS(=O)(=O)O- InChIKey
OZARAEFTGONNJV-UHFFFAOYSA-N- Molecular formula
- C5H12O3S
- Average molar mass
- 152.21 g/mol
- Monoisotopic mass
- 152.05071541
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-propanesulfonic acid
- IUPAC
- 2,2-dimethylpropane-1-sulfonic acid
Names & synonyms
2,2-Dimethyl-1-propanesulfonic acid2,2-dimethylpropane-1-sulfonic acidNSC 233805455-58-3NSC23380SCHEMBL655999SCHEMBL656000SCHEMBL9728876SCHEMBL10790722DTXSID702029731-propanesulfonic acid, 2,2-dimethyl-InChI=1/C5H12O3S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H,6,7,8
Database identifiers
- CAS
5455-58-3- PubChem CID
- 409759
- DTXSID
DTXSID70202973- Nikkaji
- J1.062.799K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…