Basic information
- CAS
113206-04-5- Standard SMILES
COc1cccc(NSC#N)c1Cl- InChIKey
PKZPDEOHIBEEIJ-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2OS
- Average molar mass
- 214.67 g/mol
- Monoisotopic mass
- 213.9967617
Names & identifiers
- Preferred name
- (2-Chloro-3-methoxyphenyl)azanyl thiocyanate
- IUPAC
- (2-chloro-3-methoxyanilino) thiocyanate
Names & synonyms
DTXSID4012594542-Chloro-3-methoxy-N-(thiocyanato)aniline(2-Chloro-3-methoxyphenyl)azanyl thiocyanate113206-04-5
Database identifiers
- CAS
113206-04-5- PubChem CID
- 85543529
- DTXSID
DTXSID401259454
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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