2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone

C13H11ClOS2 — CID 114967517

IUPAC2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone
SMILESCSc1ccccc1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H11ClOS2/c1-16-12-5-3-2-4-10(12)11(15)8-9-6-7-13(14)17-9/h2-7H,8H2,1H3
InChIKeySPFKGRCMFTXCKK-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.55
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone

2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone (PubChem CID 114967517) has the molecular formula C13H11ClOS2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone
PubChem CID114967517
Molecular FormulaC13H11ClOS2
Molecular Weight282.82 g/mol
Exact Mass281.99
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone
SMILESCSc1ccccc1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H11ClOS2/c1-16-12-5-3-2-4-10(12)11(15)8-9-6-7-13(14)17-9/h2-7H,8H2,1H3
InChIKeySPFKGRCMFTXCKK-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967563
2-(3,5-dimethylphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 114963247
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
CID 62622059
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967597
2-methylsulfanylbenzoate
CID 6932478
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
CID 79213616
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 55096306
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone (CID 114967517) is 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone is CSc1ccccc1C(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone?
The InChIKey is SPFKGRCMFTXCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS2/c1-16-12-5-3-2-4-10(12)11(15)8-9-6-7-13(14)17-9/h2-7H,8H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone has a molecular weight of 282.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 114967517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).