2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone

C11H9ClOS2 — CID 130767597

IUPAC2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
SMILESCc1csc(C(=O)Cc2csc(Cl)c2)c1
InChIInChI=1S/C11H9ClOS2/c1-7-2-10(14-5-7)9(13)3-8-4-11(12)15-6-8/h2,4-6H,3H2,1H3
InChIKeyJQYJMOMDKHOFJD-UHFFFAOYSA-N
MW256.78 g/mol
LogP4.20
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone

2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone (PubChem CID 130767597) has the molecular formula C11H9ClOS2 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
PubChem CID130767597
Molecular FormulaC11H9ClOS2
Molecular Weight256.78 g/mol
Exact Mass255.98
IUPAC Name2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
SMILESCc1csc(C(=O)Cc2csc(Cl)c2)c1
InChIInChI=1S/C11H9ClOS2/c1-7-2-10(14-5-7)9(13)3-8-4-11(12)15-6-8/h2,4-6H,3H2,1H3
InChIKeyJQYJMOMDKHOFJD-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone (CID 130767597) is 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone is Cc1csc(C(=O)Cc2csc(Cl)c2)c1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone?
The InChIKey is JQYJMOMDKHOFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS2/c1-7-2-10(14-5-7)9(13)3-8-4-11(12)15-6-8/h2,4-6H,3H2,1H3.
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone?
2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone has a molecular weight of 256.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 130767597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).