Basic information
- CAS
28242-40-2- Standard SMILES
S=C=NC(c1ccc(Br)cc1)c1ccc(Br)cc1- InChIKey
IXTLZDNHQCVNAA-UHFFFAOYSA-N- Molecular formula
- C14H9Br2NS
- Average molar mass
- 383.1 g/mol
- Monoisotopic mass
- 380.88225
Names & identifiers
- Preferred name
- 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)
- IUPAC
- 1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene
Names & synonyms
1,1'-(isothiocyanatomethanediyl)bis(4-bromobenzene)28242-40-2DTXSID50300527RefChem:212162DTXCID10251662NSC137465SCHEMBL113419234,4'-dibromobenzhydryl isothiocyanateNSC-137465DS-0067171,1'-(Isothiocyanatomethylene)bis(4-bromobenzene)Benzene,1,1-(isothiocyanatomethylene)bis[4-bromo-
Database identifiers
- CAS
28242-40-2- PubChem CID
- 283154
- DTXSID
DTXSID50300527
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…