[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate
Basic information
- CAS
93262-83-0- Standard SMILES
N#CSCc1ccc(Cl)c(CSC#N)c1- InChIKey
XLWJHNAFCNUFOP-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2S2
- Average molar mass
- 254.8 g/mol
- Monoisotopic mass
- 253.9739183
Names & identifiers
- Preferred name
- [2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate
- IUPAC
- [2-chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate
Names & synonyms
93262-83-0NSC527310DTXSID80326371NSC-5273101-chloro-2,4-bis(thiocyanatomethyl)benzeneDS-002796(4-Chloro-1,3-phenylene)bis(methylene) bis(thiocyanate)
Database identifiers
- CAS
93262-83-0- PubChem CID
- 352645
- DTXSID
DTXSID80326371
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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