2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone

C15H16OS2 — CID 114967820

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(SC)cc2)s1
InChIInChI=1S/C15H16OS2/c1-3-12-8-9-14(18-12)10-15(16)11-4-6-13(17-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyUXPSDUSNTNXXRR-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.46
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 114967820) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID114967820
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(SC)cc2)s1
InChIInChI=1S/C15H16OS2/c1-3-12-8-9-14(18-12)10-15(16)11-4-6-13(17-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyUXPSDUSNTNXXRR-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetylbenzothiophene
CID 89805
Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
CID 174341
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
2-Benzoylthiophene
CID 67262
3-Acetylbenzothiophene
CID 14316
5-Phenylthiophene-2-carbaldehyde
CID 177053
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
(2E)-2-[(Thiophen-2-YL)methylidene]-2,3-dihydro-1H-inden-1-one
CID 2305465
1,7-Dithia-s-indacene-4,8-dione
CID 288496

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 114967820) is 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(SC)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is UXPSDUSNTNXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c1-3-12-8-9-14(18-12)10-15(16)11-4-6-13(17-2)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 276.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 114967820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).