2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C17H17ClOS — CID 63406943

IUPAC2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H17ClOS/c1-11-7-12(2)17(13(3)8-11)16(19)10-20-15-6-4-5-14(18)9-15/h4-9H,10H2,1-3H3
InChIKeyAVFQGWZHPBTXPQ-UHFFFAOYSA-N
MW304.84 g/mol
LogP5.24
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 63406943) has the molecular formula C17H17ClOS and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID63406943
Molecular FormulaC17H17ClOS
Molecular Weight304.84 g/mol
Exact Mass304.07
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H17ClOS/c1-11-7-12(2)17(13(3)8-11)16(19)10-20-15-6-4-5-14(18)9-15/h4-9H,10H2,1-3H3
InChIKeyAVFQGWZHPBTXPQ-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.84
LogP ≤ 55.24
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
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
ethyl 2-(3-chlorophenyl)sulfanylacetate
CID 62648053
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 114268997
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
1-(2-amino-3-pyridinyl)-2-(3-chlorophenyl)sulfanylethanone
CID 66148493
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 63406943) is 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is AVFQGWZHPBTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClOS/c1-11-7-12(2)17(13(3)8-11)16(19)10-20-15-6-4-5-14(18)9-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 304.84 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 63406943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).