Basic information
- CAS
102367-27-1- Standard SMILES
N#CSC/C=C/Br- InChIKey
FKXFKGRLGSKMOZ-OWOJBTEDSA-N- Molecular formula
- C4H4BrNS
- Average molar mass
- 178.05 g/mol
- Monoisotopic mass
- 176.92478
Names & identifiers
- Preferred name
- Thiocyanic acid, 3-bromoallyl ester
- IUPAC
- [(E)-3-bromoprop-2-enyl] thiocyanate
- English name
- (E)-1-bromo-3-thiocyanato-prop-1-ene
- Molecular formula
- C4H4BrNS
- Molecular weight
- 0
Names & synonyms
Thiocyanic acid, 3-bromoallyl ester102367-27-1RefChem:10999843-Bromoallylthiocyanate1-Bromo-3-thiocyanatoprop-1-eneThiocyanic acid, 3-bromo-2-propenyl esterThiocyanic acid,3-bromo-2-propen-1-yl ester(E)-1-bromo-3-thiocyanato-prop-1-ene
Database identifiers
- CAS
102367-27-1- PubChem CID
- 6366641
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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