2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C17H16Cl2OS — CID 43414058

IUPAC2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C17H16Cl2OS/c1-10-6-11(2)17(12(3)7-10)15(20)9-21-16-8-13(18)4-5-14(16)19/h4-8H,9H2,1-3H3
InChIKeyUYGNGPCOJKWXIA-UHFFFAOYSA-N
MW339.29 g/mol
LogP5.89
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 43414058) has the molecular formula C17H16Cl2OS and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID43414058
Molecular FormulaC17H16Cl2OS
Molecular Weight339.29 g/mol
Exact Mass338.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C17H16Cl2OS/c1-10-6-11(2)17(12(3)7-10)15(20)9-21-16-8-13(18)4-5-14(16)19/h4-8H,9H2,1-3H3
InChIKeyUYGNGPCOJKWXIA-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.29
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 63406943
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
CID 43218405
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 43414112
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
2-(2,5-dichlorophenyl)sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7547988
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
2-(2,5-dichlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771516
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 43414058) is 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2cc(Cl)ccc2Cl)c(C)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is UYGNGPCOJKWXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2OS/c1-10-6-11(2)17(12(3)7-10)15(20)9-21-16-8-13(18)4-5-14(16)19/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 339.29 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 43414058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).