Basic information
- CAS
20618-53-5- Standard SMILES
Cc1ccc(SCCC(=O)c2ccc(Br)cc2)cc1- InChIKey
OBKKPHIZZBXJDP-UHFFFAOYSA-N- Molecular formula
- C16H15BrOS
- Average molar mass
- 335.3 g/mol
- Monoisotopic mass
- 334.0027
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-[(4-methylphenyl)sulfanyl]-1-propanone
- IUPAC
- 1-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
- English name
- 1-(4-BROMOPHENYL)-3-[(4-METHYLPHENYL)SULFANYL]-1-PROPANONE
- Molecular formula
- C16H15BrOS
- Molecular weight
- 335.26
Names & synonyms
20618-53-51-(4-bromophenyl)-3-[(4-methylphenyl)sulfanyl]-1-propanone1-(4-bromophenyl)-3-[(4-methylphenyl)sulfanyl]propan-1-one1-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropan-1-oneAKOS005108651JS-23631-(4-BROMOPHENYL)-3-((4-METHYLPHENYL)THIO)-1-PROPANONESALOR-INT L200972-1EA1-Propanone, 1-(4-bromophenyl)-3-[(4-methylphenyl)thio]-
Database identifiers
- CAS
20618-53-5- PubChem CID
- 3528656
- EC Number
- 125-908-5
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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