1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one

C13H11ClOS2 — CID 43801868

IUPAC1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
SMILESCC(Sc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClOS2/c1-9(17-12-3-2-8-16-12)13(15)10-4-6-11(14)7-5-10/h2-9H,1H3
InChIKeyWWKPHKFKZKHAON-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one

1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one (PubChem CID 43801868) has the molecular formula C13H11ClOS2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
PubChem CID43801868
Molecular FormulaC13H11ClOS2
Molecular Weight282.82 g/mol
Exact Mass281.99
IUPAC Name1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
SMILESCC(Sc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClOS2/c1-9(17-12-3-2-8-16-12)13(15)10-4-6-11(14)7-5-10/h2-9H,1H3
InChIKeyWWKPHKFKZKHAON-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropane-1,3-dione
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2-thiophen-2-ylsulfanylpentan-3-one
CID 64866095
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
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2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
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2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-chlorophenyl)propan-1-one
CID 43412942
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 114000854
(2R)-1-(4-chlorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8535342
1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one
CID 61220658
2-butan-2-ylsulfanyl-1-(4-chlorophenyl)propan-1-one
CID 43412517
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
CID 95242000
2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
CID 54593658

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one (CID 43801868) is 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one is CC(Sc1cccs1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one?
The InChIKey is WWKPHKFKZKHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS2/c1-9(17-12-3-2-8-16-12)13(15)10-4-6-11(14)7-5-10/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one?
1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one has a molecular weight of 282.82 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 43801868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).