2-Phenyl-3-(2-thienyl)acrylonitrile
Basic information
- CAS
72030-16-1- Standard SMILES
N#C/C(=C\c1cccs1)c1ccccc1- InChIKey
FACDZBYANOZMGQ-FMIVXFBMSA-N- Molecular formula
- C13H9NS
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.04557046
Names & identifiers
- Preferred name
- 2-Phenyl-3-(2-thienyl)acrylonitrile
- IUPAC
- (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile
- English name
- SPECS AQ-405/40000809
- Molecular formula
- C13H9NS
- Molecular weight
- 211.28
Names & synonyms
72030-16-12-Phenyl-3-(2-thienyl)acrylonitrileNSC149686(Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrileNSC 1496862-phenyl-3-(thiophen-2-yl)prop-2-enenitrile(Z)-2-phenyl-3-(2-thienyl)prop-2-enenitrile(E)-2-phenyl-3-thiophen-2-ylprop-2-enenitrileSCHEMBL4909715MFCD00159548NSC-149686SPECS AQ-405/40000809
Show more names
ALPHA-PHENYL-BETA-(2-THIENYL)ACRYLONITRILEBenzeneacetonitrile, α-(2-thienylmethylene)-
Database identifiers
- CAS
72030-16-1- PubChem CID
- 805089
- Nikkaji
- J800.657A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 89.5 · 89.5-90 °C
- Boiling point
- 341.4 · 341.4±30.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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