[2-Bromo-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Basic information
- CAS
93692-63-8- Standard SMILES
N#CSCc1ccc(CSC#N)c(Br)c1- InChIKey
YLTXKLIMTZRPRT-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2S2
- Average molar mass
- 299.2 g/mol
- Monoisotopic mass
- 297.9234
Names & identifiers
- Preferred name
- [2-Bromo-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
- IUPAC
- [2-bromo-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Names & synonyms
93692-63-8[2-bromo-4-(thiocyanatomethyl)phenyl]methyl thiocyanateNSC527312DTXSID00326373NSC-527312(2-Bromo-1,4-phenylene)bis(methylene) bis(thiocyanate)
Database identifiers
- CAS
93692-63-8- PubChem CID
- 352647
- DTXSID
DTXSID00326373
Properties
Computed structural properties
- XLogP
- 3.6
- 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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