2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone

C14H14O2S2 — CID 64637062

IUPAC2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2cccs2)c1
InChIInChI=1S/C14H14O2S2/c1-10-5-6-11(2)14(8-10)18(16)9-12(15)13-4-3-7-17-13/h3-8H,9H2,1-2H3
InChIKeyCMWQERWDYYHTJS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.36
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone

2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone (PubChem CID 64637062) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
PubChem CID64637062
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2cccs2)c1
InChIInChI=1S/C14H14O2S2/c1-10-5-6-11(2)14(8-10)18(16)9-12(15)13-4-3-7-17-13/h3-8H,9H2,1-2H3
InChIKeyCMWQERWDYYHTJS-UHFFFAOYSA-N
XLogP3.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64635705
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone (CID 64637062) is 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone is Cc1ccc(C)c(S(=O)CC(=O)c2cccs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone?
The InChIKey is CMWQERWDYYHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-10-5-6-11(2)14(8-10)18(16)9-12(15)13-4-3-7-17-13/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone?
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone has a molecular weight of 278.40 g/mol, XLogP of 3.36, 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-thiophen-2-ylethanone is sourced from PubChem (CID 64637062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).