5-Acetylthiophene-3-carbonitrile
Basic information
- CAS
80577-93-1- Standard SMILES
CC(=O)c1cc(C#N)cs1- InChIKey
XOOVGXRAIYZGMI-UHFFFAOYSA-N- Molecular formula
- C7H5NOS
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.00918496
Names & identifiers
- Preferred name
- 5-Acetylthiophene-3-carbonitrile
- IUPAC
- 5-acetylthiophene-3-carbonitrile
- English name
- 3-Thiophenecarbonitrile, 5-acetyl- (9CI)
- Molecular formula
- C7H5NOS
- Molecular weight
- 151.19
Names & synonyms
5-acetylthiophene-3-carbonitrile80577-93-1MFCD15142734SCHEMBL18499651SY2726043-THIOPHENECARBONITRILE, 5-ACETYL-DB-339540EN300-18455595-Acetyl-3-thiophenecarbonitrile3-Thiophenecarbonitrile, 5-acetyl- (9CI)
Database identifiers
- CAS
80577-93-1- PubChem CID
- 12931818
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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