Basic information
- CAS
303985-36-6- Standard SMILES
C=CCOc1c(C#N)sc2ccccc12- InChIKey
QDIHICWZFCKWGC-UHFFFAOYSA-N- Molecular formula
- C12H9NOS
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.04048508
Names & identifiers
- Preferred name
- 3-(Allyloxy)-1-benzothiophene-2-carbonitrile
- IUPAC
- 3-prop-2-enoxy-1-benzothiophene-2-carbonitrile
- English name
- 3-(ALLYLOXY)-1-BENZOTHIOPHENE-2-CARBONITRILE
- Molecular formula
- C12H9NOS
- Molecular weight
- 215.27
Names & synonyms
303985-36-63-(allyloxy)-1-benzothiophene-2-carbonitrile3-prop-2-enoxy-1-benzothiophene-2-carbonitrileMFCD013147793-(prop-2-en-1-yloxy)-1-benzothiophene-2-carbonitrileOprea1_868744AKOS0159918923-allyloxybenzothiophene-2-carbonitrile11L-598S3-(Allyloxy)benzo[b]thiophene-2-carbonitrileBenzo[b]thiophene-2-carbonitrile, 3-(2-propen-1-yloxy)-
Database identifiers
- CAS
303985-36-6- PubChem CID
- 2767498
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 397.2 · 397.2±27.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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