[2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Basic information
- CAS
13002-77-2- Standard SMILES
N#CSCc1cc(Cl)c(CSC#N)cc1Cl- InChIKey
QDDBNZDOOLQRJO-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2N2S2
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 287.9349459
Names & identifiers
- Preferred name
- [2,5-Dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
- IUPAC
- [2,5-dichloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Names & synonyms
13002-77-2NSC527309DTXSID20326370NSC-527309(2,5-Dichloro-1,4-phenylene)bis(methylene) bis(thiocyanate)
Database identifiers
- CAS
13002-77-2- PubChem CID
- 352644
- DTXSID
DTXSID20326370
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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