Basic information
- CAS
101670-62-6- Standard SMILES
C=CC(Br)N=C=S- InChIKey
UFLSOHBWAIBDMM-UHFFFAOYSA-N- Molecular formula
- C4H4BrNS
- Average molar mass
- 178.05 g/mol
- Monoisotopic mass
- 176.92478
Names & identifiers
- Preferred name
- 3-Bromo-3-isothiocyanatoprop-1-ene
- IUPAC
- 3-bromo-3-isothiocyanatoprop-1-ene
Names & synonyms
3-bromo-3-isothiocyanatoprop-1-ene101670-62-6DTXSID80906470RefChem:1067418DTXCID3013355681-BromoallylisothiocyanateISOTHIOCYANIC ACID, 1-BROMOALLYL ESTER
Database identifiers
- CAS
101670-62-6- PubChem CID
- 58707
- DTXSID
DTXSID80906470- Nikkaji
- J94.699K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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