1-(3,5-dichlorophenyl)sulfanylpentan-2-one

C11H12Cl2OS — CID 165440950

IUPAC1-(3,5-dichlorophenyl)sulfanylpentan-2-one
SMILESCCCC(=O)CSc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2OS/c1-2-3-10(14)7-15-11-5-8(12)4-9(13)6-11/h4-6H,2-3,7H2,1H3
InChIKeyVQJFLQFFCLRBOP-UHFFFAOYSA-N
MW263.19 g/mol
LogP4.45
Rot. Bonds5

About 1-(3,5-dichlorophenyl)sulfanylpentan-2-one

1-(3,5-dichlorophenyl)sulfanylpentan-2-one (PubChem CID 165440950) has the molecular formula C11H12Cl2OS and a molecular weight of 263.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfanylpentan-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfanylpentan-2-one
PubChem CID165440950
Molecular FormulaC11H12Cl2OS
Molecular Weight263.19 g/mol
Exact Mass262.00
IUPAC Name1-(3,5-dichlorophenyl)sulfanylpentan-2-one
SMILESCCCC(=O)CSc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2OS/c1-2-3-10(14)7-15-11-5-8(12)4-9(13)6-11/h4-6H,2-3,7H2,1H3
InChIKeyVQJFLQFFCLRBOP-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
1-naphthalen-2-ylsulfanylpentan-2-one
CID 62042537
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
1-[(4-chlorophenyl)methylsulfanyl]pentan-2-one
CID 114790785
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984
1-phenylsulfanylhexadecan-2-one
CID 67669348
1-(4-bromophenyl)sulfanylhexan-2-one
CID 66056259
2-(3-chloro-5-ethylsulfanylphenyl)acetic acid
CID 91875906
1-(4-methylphenyl)sulfanyloctan-2-one
CID 66065161
1-(3-methylphenyl)sulfanylundecan-2-one
CID 66088123

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfanylpentan-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfanylpentan-2-one (CID 165440950) is 1-(3,5-dichlorophenyl)sulfanylpentan-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfanylpentan-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfanylpentan-2-one is CCCC(=O)CSc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfanylpentan-2-one?
The InChIKey is VQJFLQFFCLRBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2OS/c1-2-3-10(14)7-15-11-5-8(12)4-9(13)6-11/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfanylpentan-2-one?
1-(3,5-dichlorophenyl)sulfanylpentan-2-one has a molecular weight of 263.19 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfanylpentan-2-one is sourced from PubChem (CID 165440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).