Basic information
- CAS
73242-19-0- Standard SMILES
CSc1ccc(C(=O)C(C)(C)C)cc1- InChIKey
IIGSIYYCFUYQMV-UHFFFAOYSA-N- Molecular formula
- C12H16OS
- Average molar mass
- 208.32 g/mol
- Monoisotopic mass
- 208.0921863
Overview
See also: 2,2-Dimethyl-4'-(methylthio)propiophenone (annotation moved to).
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-(4-methylsulfanylphenyl)propan-1-one
- IUPAC
- 2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one
- English name
- 2,2-Dimethyl-4'-thiomethylpropiophenone
- Molecular formula
- C12H16OS
- Molecular weight
- 208.32
Names & synonyms
73242-19-02,2-dimethyl-4'-thiomethylpropiophenone2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-oneMFCD000263132,2-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-1-oneSCHEMBL13610814DTXSID10399311AKOS016019955F2039772,2-Dimethyl-1-(4-(methylthio)phenyl)propan-1-one2,2-dimethyl-1-[4-(methylsulfanyl)phenyl]-1-propanone2,2-DIMETHYL-4'-(METHYLTHIO)PROPIOPHENONE
Show more names
2,2-DIMETHYL-4'-(METHYLTHIO)PROPIOPHENONE2,2-Dimethyl-1-[4-(methylthio)phenyl]-1-propanone1-Propanone, 2,2-dimethyl-1-[4-(methylthio)phenyl]-
Database identifiers
- CAS
73242-19-0- PubChem CID
- 4100526
- DTXSID
DTXSID10399311
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…