2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone

C13H14Cl2OS — CID 65138850

IUPAC2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone
SMILESO=C(CSC1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2OS/c14-11-7-3-6-10(13(11)15)12(16)8-17-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyRZIXHLGTUJETBP-UHFFFAOYSA-N
MW289.23 g/mol
LogP4.85
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone

2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone (PubChem CID 65138850) has the molecular formula C13H14Cl2OS and a molecular weight of 289.23 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone
PubChem CID65138850
Molecular FormulaC13H14Cl2OS
Molecular Weight289.23 g/mol
Exact Mass288.01
IUPAC Name2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone
SMILESO=C(CSC1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2OS/c14-11-7-3-6-10(13(11)15)12(16)8-17-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyRZIXHLGTUJETBP-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
CID 114725382
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
[2-(chloromethyl)azepan-1-yl]-(2,3-dichlorophenyl)methanone
CID 116639124
3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide
CID 23917473
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanone
CID 60645510
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
CID 60644172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone (CID 65138850) is 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone is O=C(CSC1CCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone?
The InChIKey is RZIXHLGTUJETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2OS/c14-11-7-3-6-10(13(11)15)12(16)8-17-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone?
2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone has a molecular weight of 289.23 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 65138850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).