1-(2,4-dichlorophenyl)-2-methylsulfanylethanone

C9H8Cl2OS — CID 10657382

IUPAC1-(2,4-dichlorophenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2OS/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3
InChIKeyYTKMPZYJSYSJLP-UHFFFAOYSA-N
MW235.13 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone

1-(2,4-dichlorophenyl)-2-methylsulfanylethanone (PubChem CID 10657382) has the molecular formula C9H8Cl2OS and a molecular weight of 235.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-methylsulfanylethanone
PubChem CID10657382
Molecular FormulaC9H8Cl2OS
Molecular Weight235.13 g/mol
Exact Mass233.97
IUPAC Name1-(2,4-dichlorophenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2OS/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3
InChIKeyYTKMPZYJSYSJLP-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone (CID 10657382) is 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone is CSCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone?
The InChIKey is YTKMPZYJSYSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2OS/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone?
1-(2,4-dichlorophenyl)-2-methylsulfanylethanone has a molecular weight of 235.13 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 10657382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).