2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone

C17H18OS — CID 43413759

IUPAC2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18OS/c1-12-5-8-15(9-6-12)16(18)11-19-17-10-13(2)4-7-14(17)3/h4-10H,11H2,1-3H3
InChIKeyMPAXVHRKCLRBEG-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.59
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone

2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone (PubChem CID 43413759) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
PubChem CID43413759
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18OS/c1-12-5-8-15(9-6-12)16(18)11-19-17-10-13(2)4-7-14(17)3/h4-10H,11H2,1-3H3
InChIKeyMPAXVHRKCLRBEG-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413718
4-[2-(2,4-dimethylphenyl)sulfanylacetyl]benzonitrile
CID 43225040
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 829105
2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 60653053
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 60885588
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788521
2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220191
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
4-(2,5-dimethylphenyl)sulfanylbutan-2-one
CID 43226054

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone (CID 43413759) is 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CSc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone?
The InChIKey is MPAXVHRKCLRBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-12-5-8-15(9-6-12)16(18)11-19-17-10-13(2)4-7-14(17)3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone?
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone has a molecular weight of 270.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43413759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).