Basic information
- Standard SMILES
O=C(N=C=S)C1CC1c1ccccc1- InChIKey
IYHCVXHCSSQPQK-UHFFFAOYSA-N- Molecular formula
- C11H9NOS
- Average molar mass
- 203.26 g/mol
Names & identifiers
- Preferred name
- 2-Phenyl-1-cyclopropanecarbonyl isothiocyanate
- IUPAC
- 2-phenylcyclopropane-1-carbonyl isothiocyanate
Names & synonyms
SCHEMBL5824586IYHCVXHCSSQPQK-UHFFFAOYSA-NAKOS0202230932-Phenyl-1-cyclopropanecarbonyl isothiocyanate
Database identifiers
- PubChem CID
- 21890726
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Related reactions
5 records
Compound notes
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