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

C11H12Cl2OS — CID 60975325

IUPAC2-(2,5-dichlorophenyl)sulfanylpentan-3-one
SMILESCCC(=O)C(C)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2OS/c1-3-10(14)7(2)15-11-6-8(12)4-5-9(11)13/h4-7H,3H2,1-2H3
InChIKeyMGZYRYIYCJAJKV-UHFFFAOYSA-N
MW263.19 g/mol
LogP4.45
Rot. Bonds4

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

2-(2,5-dichlorophenyl)sulfanylpentan-3-one (PubChem CID 60975325) has the molecular formula C11H12Cl2OS and a molecular weight of 263.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylpentan-3-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylpentan-3-one
PubChem CID60975325
Molecular FormulaC11H12Cl2OS
Molecular Weight263.19 g/mol
Exact Mass262.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanylpentan-3-one
SMILESCCC(=O)C(C)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2OS/c1-3-10(14)7(2)15-11-6-8(12)4-5-9(11)13/h4-7H,3H2,1-2H3
InChIKeyMGZYRYIYCJAJKV-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
CID 43414073
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
ethyl N-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]carbamate
CID 47266788
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830416
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980923
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
CID 63582266
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
CID 83038841

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylpentan-3-one?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylpentan-3-one (CID 60975325) is 2-(2,5-dichlorophenyl)sulfanylpentan-3-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylpentan-3-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylpentan-3-one is CCC(=O)C(C)Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylpentan-3-one?
The InChIKey is MGZYRYIYCJAJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2OS/c1-3-10(14)7(2)15-11-6-8(12)4-5-9(11)13/h4-7H,3H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylpentan-3-one?
2-(2,5-dichlorophenyl)sulfanylpentan-3-one has a molecular weight of 263.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylpentan-3-one is sourced from PubChem (CID 60975325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).