1-Butanesulfonic acid, 1-methylethyl ester
Basic information
- CAS
91284-46-7- Standard SMILES
CCCCS(=O)(=O)OC(C)C- InChIKey
NWTTVCBRIISXCG-UHFFFAOYSA-N- Molecular formula
- C7H16O3S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.08201554
Names & identifiers
- Preferred name
- 1-Butanesulfonic acid, 1-methylethyl ester
- IUPAC
- propan-2-yl butane-1-sulfonate
- English name
- 1-Methylethyl 1-butanesulfonate
- Molecular formula
- C7H16O3S
- Molecular weight
- 180.27
Names & synonyms
91284-46-7Isopropyl 1-butanesulfonatepropan-2-yl butane-1-sulfonate1-Butanesulfonic acid, 1-methylethyl esterISOPROPYL BUTANE-1-SULFONATETirofiban Impurity 40NIOSH/EK59200001-Butanesulfonic acid, isopropyl esterEK592000001-Methylethyl 1-butanesulfonateSCHEMBL17922766DTXSID70238479
Show more names
Tirofiban Impurity 51Tirofiban Impurity 48
H40556
Database identifiers
- CAS
91284-46-7- PubChem CID
- 150336
- DTXSID
DTXSID70238479
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
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Compound notes
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