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

C15H16O2S2 — CID 64636296

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16O2S2/c1-10-4-6-13(7-5-10)19(17)9-15(16)14-8-11(2)18-12(14)3/h4-8H,9H2,1-3H3
InChIKeyYPGMQXGKRSXKKI-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.66
Rot. Bonds4

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

1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone (PubChem CID 64636296) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
PubChem CID64636296
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H16O2S2/c1-10-4-6-13(7-5-10)19(17)9-15(16)14-8-11(2)18-12(14)3/h4-8H,9H2,1-3H3
InChIKeyYPGMQXGKRSXKKI-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

1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
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-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylbutylsulfinyl)ethanone
CID 107767827
1-chloro-3-(4-methylphenyl)sulfinylpropan-2-one
CID 13495347
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone (CID 64636296) is 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone is Cc1ccc(S(=O)CC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone?
The InChIKey is YPGMQXGKRSXKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-10-4-6-13(7-5-10)19(17)9-15(16)14-8-11(2)18-12(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone 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 1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64636296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).