Basic information
- CAS
102367-28-2- Standard SMILES
N#CSC/C(Br)=C/Br- InChIKey
MKZFDUNLCSMNOX-RJRFIUFISA-N- Molecular formula
- C4H3Br2NS
- Average molar mass
- 256.95 g/mol
- Monoisotopic mass
- 254.8353
Names & identifiers
- Preferred name
- Thiocyanic acid, 2,3-dibromoallyl ester
- IUPAC
- [(Z)-2,3-dibromoprop-2-enyl] thiocyanate
Names & synonyms
Thiocyanic acid, 2,3-dibromoallyl ester102367-28-2RefChem:10999812,3-Dibromoallyl thiocyanate1,2-Dibromo-3-thiocyanatoprop-1-eneNSC168455NSC-168455
Database identifiers
- CAS
102367-28-2- PubChem CID
- 6366642
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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