1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one
Basic information
- CAS
1964-27-8- Standard SMILES
CSc1ccc(C)cc1C(C)=O- InChIKey
RXKKXLMQEKQPNB-UHFFFAOYSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.06088618
Names & identifiers
- Preferred name
- 1-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-one
- IUPAC
- 1-(5-methyl-2-methylsulfanylphenyl)ethanone
Names & synonyms
1964-27-81-[5-Methyl-2-(methylsulfanyl)phenyl]ethan-1-oneDTXSID803183721-(5-Methyl-2-(methylsulfanyl)phenyl)ethan-1-oneRefChem:225806DTXCID20269495891-992-11-(5-methyl-2-methylsulfanylphenyl)ethanone1-(5-Methyl-2-(methylthio)phenyl)ethan-1-oneMFCD008292871-(5-methyl-2-(methylthio)phenyl)ethanoneNSC329357
Show more names
starbld0045912AKOS016352976NSC-329357NS-01574DS-0109071-(5-methyl-2-methylsulfanyl-phenyl)ethanoneH80157ETHANONE,1-[5-METHYL-2-(METHYLTHIO)PHENYL]-
Database identifiers
- CAS
1964-27-8- PubChem CID
- 332502
- DTXSID
DTXSID80318372- EC Number
- 891-992-1
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
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Compound notes
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