Basic information
- CAS
91284-44-5- Standard SMILES
CCCCCS(=O)(=O)OCC- InChIKey
NPBFHQWDTHHBMS-UHFFFAOYSA-N- Molecular formula
- C7H16O3S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.08201554
Names & identifiers
- Preferred name
- 1-Pentanesulfonic acid, ethyl ester
- IUPAC
- ethyl pentane-1-sulfonate
Names & synonyms
1-Pentanesulfonic acid, ethyl ester91284-44-5ethyl pentane-1-sulfonateEthyl 1-pentanesulfonateSCHEMBL1459111SCHEMBL8817616DTXSID50238477
Database identifiers
- CAS
91284-44-5- PubChem CID
- 150334
- DTXSID
DTXSID50238477
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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