1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene

C13H10Cl2S — CID 7639

IUPAC1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene
SMILESClc1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyZHLKXBJTJHRTTE-UHFFFAOYSA-N
MW269.20 g/mol
LogP5.29
Rot. Bonds3

About 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene

1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene (PubChem CID 7639) has the molecular formula C13H10Cl2S and a molecular weight of 269.20 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene
PubChem CID7639
Molecular FormulaC13H10Cl2S
Molecular Weight269.20 g/mol
Exact Mass267.99
IUPAC Name1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene
SMILESClc1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyZHLKXBJTJHRTTE-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene (CID 7639) is 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene is Clc1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene?
The InChIKey is ZHLKXBJTJHRTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene?
1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene has a molecular weight of 269.20 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene is sourced from PubChem (CID 7639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).