2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C19H22OS — CID 43413772

IUPAC2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1ccc(SCC(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H22OS/c1-12-6-7-18(14(3)8-12)21-11-17(20)19-15(4)9-13(2)10-16(19)5/h6-10H,11H2,1-5H3
InChIKeyGQHDZRKODPVOAU-UHFFFAOYSA-N
MW298.45 g/mol
LogP5.20
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 43413772) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID43413772
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1ccc(SCC(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H22OS/c1-12-6-7-18(14(3)8-12)21-11-17(20)19-15(4)9-13(2)10-16(19)5/h6-10H,11H2,1-5H3
InChIKeyGQHDZRKODPVOAU-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43414058
2-(2,4-dimethylphenyl)sulfanyl-1-(1-methylpyrrol-3-yl)ethanone
CID 43413768
4-[2-(2,4-dimethylphenyl)sulfanylacetyl]benzonitrile
CID 43225040
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
CID 43220232
1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene
CID 130670153
2-[[5-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 2469060
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
6-amino-5-[2-(2,4-dimethylphenyl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42150829
2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220191
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 63406943
2-(2,4-dimethylphenyl)sulfanyl-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 112786295
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 43413772) is 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1ccc(SCC(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is GQHDZRKODPVOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS/c1-12-6-7-18(14(3)8-12)21-11-17(20)19-15(4)9-13(2)10-16(19)5/h6-10H,11H2,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 298.45 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 43413772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).