1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone

C13H12O2S2 — CID 102101600

IUPAC1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone
SMILESCOc1ccc(Sc2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C13H12O2S2/c1-9(14)12-7-8-13(17-12)16-11-5-3-10(15-2)4-6-11/h3-8H,1-2H3
InChIKeyJXYHIXLFZQQZEU-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.11
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone

1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone (PubChem CID 102101600) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone
PubChem CID102101600
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone
SMILESCOc1ccc(Sc2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C13H12O2S2/c1-9(14)12-7-8-13(17-12)16-11-5-3-10(15-2)4-6-11/h3-8H,1-2H3
InChIKeyJXYHIXLFZQQZEU-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
CID 21162525
[4-(4-methoxyphenoxy)phenyl] 4-(4-acetylphenyl)sulfanylbenzoate
CID 59273971
1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone
CID 1481764
bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium
CID 87435588
[2-(4-methoxyphenyl)sulfanylcyclobuten-1-yl] acetate
CID 12578982
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
4-(5-acetylthiophen-2-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18399843
3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
CID 14154221
N-[(E)-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126022213
1-[5-(2-chloroethylsulfanyl)thiophen-2-yl]ethanone
CID 15285857
[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]sulfanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141340774
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone (CID 102101600) is 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone is COc1ccc(Sc2ccc(C(C)=O)s2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone?
The InChIKey is JXYHIXLFZQQZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S2/c1-9(14)12-7-8-13(17-12)16-11-5-3-10(15-2)4-6-11/h3-8H,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone?
1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone is sourced from PubChem (CID 102101600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).