1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone

C12H12O2S3 — CID 64640088

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
SMILESCc1cc(C(=O)CS(=O)c2cccs2)c(C)s1
InChIInChI=1S/C12H12O2S3/c1-8-6-10(9(2)16-8)11(13)7-17(14)12-4-3-5-15-12/h3-6H,7H2,1-2H3
InChIKeyNRGUVBGQGJEFTH-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone

1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone (PubChem CID 64640088) has the molecular formula C12H12O2S3 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
PubChem CID64640088
Molecular FormulaC12H12O2S3
Molecular Weight284.43 g/mol
Exact Mass284.00
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
SMILESCc1cc(C(=O)CS(=O)c2cccs2)c(C)s1
InChIInChI=1S/C12H12O2S3/c1-8-6-10(9(2)16-8)11(13)7-17(14)12-4-3-5-15-12/h3-6H,7H2,1-2H3
InChIKeyNRGUVBGQGJEFTH-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.42
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-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
CID 64639086
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenyl)sulfinylethanone
CID 64639325
1-(2,5-dimethylthiophen-3-yl)-2-(2-methylbutylsulfinyl)ethanone
CID 107767827
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4808882
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
CID 17452027
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8938650

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone (CID 64640088) is 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone is Cc1cc(C(=O)CS(=O)c2cccs2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone?
The InChIKey is NRGUVBGQGJEFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S3/c1-8-6-10(9(2)16-8)11(13)7-17(14)12-4-3-5-15-12/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone?
1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone has a molecular weight of 284.43 g/mol, XLogP of 3.42, 4 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-thiophen-2-ylsulfinylethanone is sourced from PubChem (CID 64640088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).