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

C16H18O2S2 — CID 64637254

IUPAC2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C16H18O2S2/c1-10-5-6-11(2)16(7-10)20(18)9-15(17)14-8-12(3)19-13(14)4/h5-8H,9H2,1-4H3
InChIKeyMXRNAKJNYLPRRZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.97
Rot. Bonds4

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

2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 64637254) has the molecular formula C16H18O2S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID64637254
Molecular FormulaC16H18O2S2
Molecular Weight306.45 g/mol
Exact Mass306.07
IUPAC Name2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C16H18O2S2/c1-10-5-6-11(2)16(7-10)20(18)9-15(17)14-8-12(3)19-13(14)4/h5-8H,9H2,1-4H3
InChIKeyMXRNAKJNYLPRRZ-UHFFFAOYSA-N
XLogP3.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
CID 64640088
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenyl)sulfinylethanone
CID 64639325

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 64637254) is 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1ccc(C)c(S(=O)CC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is MXRNAKJNYLPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S2/c1-10-5-6-11(2)16(7-10)20(18)9-15(17)14-8-12(3)19-13(14)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 306.45 g/mol, XLogP of 3.97, 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-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 64637254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).