1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone

C12H15ClOS2 — CID 60644172

IUPAC1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
SMILESO=C(CSC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClOS2/c13-12-7-6-11(16-12)10(14)8-15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyAEKXZTVDNNTIAD-UHFFFAOYSA-N
MW274.84 g/mol
LogP4.65
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone

1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone (PubChem CID 60644172) has the molecular formula C12H15ClOS2 and a molecular weight of 274.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
PubChem CID60644172
Molecular FormulaC12H15ClOS2
Molecular Weight274.84 g/mol
Exact Mass274.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
SMILESO=C(CSC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClOS2/c13-12-7-6-11(16-12)10(14)8-15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyAEKXZTVDNNTIAD-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82052474
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2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
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1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
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1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
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1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione
CID 2647644
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone
CID 65138850
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
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CID 60884745

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone (CID 60644172) is 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone is O=C(CSC1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone?
The InChIKey is AEKXZTVDNNTIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS2/c13-12-7-6-11(16-12)10(14)8-15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone?
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone has a molecular weight of 274.84 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone is sourced from PubChem (CID 60644172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).