2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone

C15H16O2S2 — CID 64636687

IUPAC2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H16O2S2/c1-10-4-6-13(8-11(10)2)19(17)9-14(16)15-7-5-12(3)18-15/h4-8H,9H2,1-3H3
InChIKeyQBCLCUMJGRSZFK-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.66
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone

2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64636687) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64636687
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H16O2S2/c1-10-4-6-13(8-11(10)2)19(17)9-14(16)15-7-5-12(3)18-15/h4-8H,9H2,1-3H3
InChIKeyQBCLCUMJGRSZFK-UHFFFAOYSA-N
XLogP3.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64638488
1-(3,4-dimethylphenyl)sulfinylpropan-2-one
CID 64636691
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636680
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64639257
3-(3,4-dimethylphenyl)sulfinyl-2-methylpropanoic acid
CID 61302341
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64636056
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
6-(3,4-dimethylphenyl)sulfinylhexan-3-one
CID 106808594
2-[2-[(3,4-dimethylphenyl)sulfinylmethyl]phenyl]acetic acid
CID 115463227
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (CID 64636687) is 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CS(=O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is QBCLCUMJGRSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-10-4-6-13(8-11(10)2)19(17)9-14(16)15-7-5-12(3)18-15/h4-8H,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 292.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64636687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).