1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone

C14H10Cl2OS — CID 2824667

IUPAC1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2OS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8H,9H2
InChIKeyHZGLGBYRTBNBHB-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.97
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone

1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone (PubChem CID 2824667) has the molecular formula C14H10Cl2OS and a molecular weight of 297.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone
PubChem CID2824667
Molecular FormulaC14H10Cl2OS
Molecular Weight297.21 g/mol
Exact Mass295.98
IUPAC Name1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2OS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8H,9H2
InChIKeyHZGLGBYRTBNBHB-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone (CID 2824667) is 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone is O=C(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone?
The InChIKey is HZGLGBYRTBNBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2OS/c15-11-3-1-10(2-4-11)14(17)9-18-13-7-5-12(16)6-8-13/h1-8H,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone?
1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone has a molecular weight of 297.21 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 2824667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).