Basic information
- CAS
89818-36-0- Standard SMILES
COc1ccc(SC#N)cc1Cl- InChIKey
BWTPWIDNCMQOAC-UHFFFAOYSA-N- Molecular formula
- C8H6ClNOS
- Average molar mass
- 199.66 g/mol
- Monoisotopic mass
- 198.9858627
Names & identifiers
- Preferred name
- 3-Chloro-4-methoxyphenyl thiocyanate
- IUPAC
- (3-chloro-4-methoxyphenyl) thiocyanate
Names & synonyms
89818-36-0DTXSID606180843-Chloro-4-methoxyphenyl thiocyanateRefChem:278324DTXCID605688382-chloro-1-methoxy-4-thiocyanatobenzene
Database identifiers
- CAS
89818-36-0- PubChem CID
- 21789638
- DTXSID
DTXSID60618084
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…