1-(2-methylphenyl)-2-methylsulfanylethanone

C10H12OS — CID 14815227

IUPAC1-(2-methylphenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccccc1C
InChIInChI=1S/C10H12OS/c1-8-5-3-4-6-9(8)10(11)7-12-2/h3-6H,7H2,1-2H3
InChIKeyHNPSFAIRXGZWHV-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.54
Rot. Bonds3

About 1-(2-methylphenyl)-2-methylsulfanylethanone

1-(2-methylphenyl)-2-methylsulfanylethanone (PubChem CID 14815227) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-methylsulfanylethanone
PubChem CID14815227
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name1-(2-methylphenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccccc1C
InChIInChI=1S/C10H12OS/c1-8-5-3-4-6-9(8)10(11)7-12-2/h3-6H,7H2,1-2H3
InChIKeyHNPSFAIRXGZWHV-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43802511
ethyl 2-[2-(2-methylphenyl)-2-oxoethyl]sulfanylacetate
CID 43801780
1,2-bis(2-methylphenyl)ethanone
CID 11345119
3-(2-methylphenyl)-3-oxopropanal
CID 15648082
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
S-methylsulfanyl 2-methylbenzenecarbothioate
CID 87154728
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2-methylphenyl)-2-methylsulfanylethanone (CID 14815227) is 1-(2-methylphenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-methylsulfanylethanone is CSCC(=O)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-2-methylsulfanylethanone?
The InChIKey is HNPSFAIRXGZWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-8-5-3-4-6-9(8)10(11)7-12-2/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-methylsulfanylethanone?
1-(2-methylphenyl)-2-methylsulfanylethanone has a molecular weight of 180.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 14815227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).