1-(2,5-dichlorophenyl)-2-methylsulfinylethanone

C9H8Cl2O2S — CID 64639765

IUPAC1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2O2S/c1-14(13)5-9(12)7-4-6(10)2-3-8(7)11/h2-4H,5H2,1H3
InChIKeyLKHJLAGQAUPERS-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.55
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone

1-(2,5-dichlorophenyl)-2-methylsulfinylethanone (PubChem CID 64639765) has the molecular formula C9H8Cl2O2S and a molecular weight of 251.13 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
PubChem CID64639765
Molecular FormulaC9H8Cl2O2S
Molecular Weight251.13 g/mol
Exact Mass249.96
IUPAC Name1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2O2S/c1-14(13)5-9(12)7-4-6(10)2-3-8(7)11/h2-4H,5H2,1H3
InChIKeyLKHJLAGQAUPERS-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 115736609
1-(2,5-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969573
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
1-(2,5-dichlorophenyl)-3-methylpentan-1-one
CID 114874019
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone (CID 64639765) is 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone is CS(=O)CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone?
The InChIKey is LKHJLAGQAUPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2S/c1-14(13)5-9(12)7-4-6(10)2-3-8(7)11/h2-4H,5H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone?
1-(2,5-dichlorophenyl)-2-methylsulfinylethanone has a molecular weight of 251.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-methylsulfinylethanone is sourced from PubChem (CID 64639765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).