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

C15H16O2S2 — CID 64637243

IUPAC2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C15H16O2S2/c1-10-4-5-11(2)15(8-10)19(17)9-13(16)14-7-6-12(3)18-14/h4-8H,9H2,1-3H3
InChIKeyOMKHAHJXCQQHFJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.66
Rot. Bonds4

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

2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64637243) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64637243
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C15H16O2S2/c1-10-4-5-11(2)15(8-10)19(17)9-13(16)14-7-6-12(3)18-14/h4-8H,9H2,1-3H3
InChIKeyOMKHAHJXCQQHFJ-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-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636687
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636680
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64638488
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64639257
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
2-(2,5-dimethylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756231

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (CID 64637243) is 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C)c(S(=O)CC(=O)c2ccc(C)s2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is OMKHAHJXCQQHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-10-4-5-11(2)15(8-10)19(17)9-13(16)14-7-6-12(3)18-14/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
2-(2,5-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-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64637243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).