1-((4-Bromophenyl)thio)propan-2-one
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Basic information
- Standard SMILES
CC(=O)CSc1ccc(Br)cc1- InChIKey
HCLMSQXPPXNNKE-UHFFFAOYSA-N- Molecular formula
- C9H9BrOS
- Average molar mass
- 245.14 g/mol
- Monoisotopic mass
- 243.95575
Names & identifiers
- Preferred name
- 1-((4-Bromophenyl)thio)propan-2-one
- IUPAC
- 1-(4-bromophenyl)sulfanylpropan-2-one
Names & synonyms
1-((4-Bromophenyl)thio)propan-2-one1200-12-01-[(4-bromophenyl)sulfanyl]acetone1-(4-bromophenyl)sulfanylpropan-2-oneMFCD018303341-[(4-Bromophenyl)thio]-2-propanone4-Bromophenylmercaptopropanone1-(4-bromophenylthio)acetoneSCHEMBL941105HCLMSQXPPXNNKE-UHFFFAOYSA-N1-(4-Bromophenylthio)propan-2-oneSBB099958
Show more names
AKOS0089058931-[(4-bromophenyl)sulfanyl]propan-2-one2-Propanone, 1-[(4-bromophenyl)thio]-SY3863871-(4-Bromo-phenylsulfanyl)-propan-2-oneCS-0272161EN300-394824AA-516/30035027
Database identifiers
- PubChem CID
- 821902
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
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Related reactions
7 records
Compound notes
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