1-Phenyl-2-((phenylmethyl)thio)ethan-1-one
Basic information
- CAS
2408-88-0- Standard SMILES
O=C(CSCc1ccccc1)c1ccccc1- InChIKey
OUNLDCIYHQIIQM-UHFFFAOYSA-N- Molecular formula
- C15H14OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.07653624
Names & identifiers
- Preferred name
- 1-Phenyl-2-((phenylmethyl)thio)ethan-1-one
- IUPAC
- 2-benzylsulfanyl-1-phenylethanone
- English name
- 1-phenyl-2-[(phenylmethyl)thio]ethan-1-one
- Molecular formula
- C15H14OS
- Molecular weight
- 242.33606
Names & synonyms
2408-88-01-phenyl-2-[(phenylmethyl)thio]ethan-1-one1-Phenyl-2-((phenylmethyl)thio)ethan-1-oneEINECS 219-312-51-Phenyl-2-[(phenylmethyl)thio]ethanoneDTXSID60178810NSC 374731-Phenyl-2-((phenylmethyl)thio)ethanoneRefChem:435551DTXCID20101301219-312-52-(benzylsulfanyl)-1-phenylethan-1-one
Show more names
A-(BENZYLTHIO)ACETOPHENONE2-(BENZYLTHIO)ACETOPHENONEEthanone, 1-phenyl-2-[(phenylmethyl)thio]-
Ethanone,1-phenyl-2-[(phenylmethyl)thio]-alpha-(benzylthio)acetophenoneNSC-374732-benzylsulfanyl-1-phenylethanone2-(benzylsulfanyl)-1-phenylethanoneNSC37473phenacyl benzyl sulfideBenzyl phenacyl sulfide
Database identifiers
- CAS
2408-88-0- PubChem CID
- 75479
- DTXSID
DTXSID60178810- UNII
- YKN5X2W3BJ
- EC Number
- 219-312-5
- Nikkaji
- J216.052H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 89 °C · 89 °C
- Boiling point
- 379.6 · 379.6±25.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- FDA UNII
- 5 X2W3BJ · YKN5X2W3BJ
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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