1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone

C15H16O3S2 — CID 64638239

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
SMILESCOc1ccc(S(=O)CC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16O3S2/c1-10-8-14(11(2)19-10)15(16)9-20(17)13-6-4-12(18-3)5-7-13/h4-8H,9H2,1-3H3
InChIKeyZIVLCVSXWLJZRF-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.36
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone

1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone (PubChem CID 64638239) has the molecular formula C15H16O3S2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
PubChem CID64638239
Molecular FormulaC15H16O3S2
Molecular Weight308.42 g/mol
Exact Mass308.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
SMILESCOc1ccc(S(=O)CC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16O3S2/c1-10-8-14(11(2)19-10)15(16)9-20(17)13-6-4-12(18-3)5-7-13/h4-8H,9H2,1-3H3
InChIKeyZIVLCVSXWLJZRF-UHFFFAOYSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenyl)sulfinylethanone
CID 64639325
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
CID 64640088
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
CID 64636130
1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641956
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 7648607

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone (CID 64638239) is 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone is COc1ccc(S(=O)CC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone?
The InChIKey is ZIVLCVSXWLJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S2/c1-10-8-14(11(2)19-10)15(16)9-20(17)13-6-4-12(18-3)5-7-13/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone has a molecular weight of 308.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone is sourced from PubChem (CID 64638239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).