Basic information
- CAS
91284-47-8- Standard SMILES
CCCCCS(=O)(=O)OC(C)C- InChIKey
SWLZRVUODQCRSY-UHFFFAOYSA-N- Molecular formula
- C8H18O3S
- Average molar mass
- 194.29 g/mol
- Monoisotopic mass
- 194.09766561
Names & identifiers
- Preferred name
- 1-Methylethyl 1-pentanesulfonate
- IUPAC
- propan-2-yl pentane-1-sulfonate
- English name
- 1-Methylethyl 1-pentanesulfonate
- Molecular weight
- 0
Names & synonyms
91284-47-8Isopropyl 1-pentanesulfonateNIOSH/SA29990001-Pentanesulfonic acid, isopropyl esterSA299900001-Methylethyl 1-pentanesulfonatepropan-2-yl pentane-1-sulfonate1-Pentanesulfonic acid, 1-methylethyl esterDTXSID90919854
Database identifiers
- CAS
91284-47-8- PubChem CID
- 150337
- DTXSID
DTXSID90919854
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Chemistry & industry
Suppliers1 total
南京唯博特医药科技有限公司18066048793 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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