1-Bromo-4-(3-buten-1-ylthio)benzene
Basic information
- CAS
146904-79-2- Standard SMILES
C=CCCSc1ccc(Br)cc1- InChIKey
OQCUZPZDEHVLKL-UHFFFAOYSA-N- Molecular formula
- C10H11BrS
- Average molar mass
- 243.17 g/mol
- Monoisotopic mass
- 241.97648
Names & identifiers
- Preferred name
- 1-Bromo-4-(3-buten-1-ylthio)benzene
- IUPAC
- 1-bromo-4-but-3-enylsulfanylbenzene
Names & synonyms
SCHEMBL41956585DTXSID7012927701-Bromo-4-(3-buten-1-ylthio)benzene1-Bromo-4-[(but-3-en-1-yl)sulfanyl]benzene146904-79-2
Database identifiers
- CAS
146904-79-2- PubChem CID
- 85678902
- DTXSID
DTXSID701292770
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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