2-(Ethylthio)-1-phenylethan-1-one
Basic information
- CAS
10271-55-3- Standard SMILES
CCSC(=O)Cc1ccccc1- InChIKey
IMCBPLIREFBOKS-UHFFFAOYSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.06088618
Names & identifiers
- Preferred name
- 2-(Ethylthio)-1-phenylethan-1-one
- IUPAC
- S-ethyl 2-phenylethanethioate
- English name
- alpha-(Ethylthio)acetophenone, 97
- Molecular formula
- C10H12OS
- Molecular weight
- 180.27
Names & synonyms
EINECS 233-613-9RefChem:460952233-613-92-(ethylthio)-1-phenylethan-1-oneS-ethyl 2-phenylethanethioateS-ethyl phenylethanethioate14476-63-2SCHEMBL3251243DTXSID00908012Phenyl-thioacetic acid S-ethyl ester2-phenyl-ethanethioic acid S-ethyl esterα-(Ethylthio)acetophenone
Show more names
A-(ETHYLTHIO)ACETOPHENONEBenzoylmethylethylsulfide2-(ETHYLTHIO)ACETOPHENONE2-ethylsulfanyl-1-phenylethanonealpha-(Ethylthio)acetophenone, 97Ethanone, 2-(ethylthio)-1-phenyl-2-(ethylsulfanyl)-1-phenylethan-1-one
Database identifiers
- CAS
10271-55-3- PubChem CID
- 82507
- DTXSID
DTXSID00908012- EC Number
- 233-613-9
- Nikkaji
- J2.681.527D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 106 °C · 106 °C(Press: 2 Torr)
- Density
- 1.226 g/cm3 · 1.2260 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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