Basic information
- CAS
1424-48-2- Standard SMILES
Cc1ccc(S(=O)(=O)C=CC#N)cc1- InChIKey
DOEWDSDBFRHVAP-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0353997
Names & identifiers
- Preferred name
- 3-((4-Methylphenyl)sulfonyl)-2-propenenitrile
- IUPAC
- 3-(4-methylphenyl)sulfonylprop-2-enenitrile
- English name
- 3-(4-methylphenyl)sulfonylprop-2-enenitrile
- Molecular formula
- C10H9NO2S
- Molecular weight
- 207.25
Names & synonyms
1424-48-23-((4-Methylphenyl)sulfonyl)-2-propenenitrileRefChem:10663093-(p-Tolylsulfonyl)acrylonitrile3-(4-methylphenyl)sulfonylprop-2-enenitrile3-(4-Tolylsulfonyl)acrylonitrileCaswell No. 859A3-(p-Toluenesulfonyl)acrylonitrileEPA Pesticide Chemical Code 459200CP 15749-3Acrylonitrile, 3-(p-tolylsulfonyl)-(E)-3-(4-Methylphenylsulfonyl)-2-propenenitrile
Show more names
2-Propenenitrile, 3-[(4-methylphenyl)sulfonyl]-
2-Propenenitrile, 3-((4-methylphenyl)sulfonyl)-Oprea1_624859KBioGR_000537KBioSS_000537SCHEMBL161628IFLab1_000040DTXSID3041459KBio2_000537
Database identifiers
- CAS
1424-48-2- PubChem CID
- 2301
- DTXSID
DTXSID3041459
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- Boiling point
- 397.6 · 397.6±42.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- FDA UNII
- 4 Y5G2A4F6O · 4Y5G2A4F6O
- EPA Substance Registry System
- 3 · 3-(p-Tolylsulfonyl)acrylonitrile (1424-48-2)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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