(Butane-2-sulfonyl)-acetonitrile
Basic information
- CAS
1153970-76-3- Standard SMILES
CCC(C)S(=O)(=O)CC#N- InChIKey
FGYQFNPEDZZDHE-UHFFFAOYSA-N- Molecular formula
- C6H11NO2S
- Average molar mass
- 161.22 g/mol
- Monoisotopic mass
- 161.05104977
Names & identifiers
- Preferred name
- (Butane-2-sulfonyl)-acetonitrile
- IUPAC
- 2-butan-2-ylsulfonylacetonitrile
Names & synonyms
(Butane-2-sulfonyl)-acetonitrile1153970-76-32-butan-2-ylsulfonylacetonitrile2-(butane-2-sulfonyl)acetonitrile2-sec-butylsulfonylacetonitrile(Butane-2-sulfonyl)acetonitrileDTXSID70656114AKOS009546449EN300-172100F070770
Database identifiers
- CAS
1153970-76-3- PubChem CID
- 43519213
- DTXSID
DTXSID70656114
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 228
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Related reactions
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Compound notes
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