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

C12H8Cl2S3 — CID 10969209

IUPAC1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene
SMILESClc1ccc(SSSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2S3/c13-9-1-5-11(6-2-9)15-17-16-12-7-3-10(14)4-8-12/h1-8H
InChIKeyUCAOVHYMXYNICA-UHFFFAOYSA-N
MW319.30 g/mol
LogP6.44
Rot. Bonds4

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

1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene (PubChem CID 10969209) has the molecular formula C12H8Cl2S3 and a molecular weight of 319.30 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene
PubChem CID10969209
Molecular FormulaC12H8Cl2S3
Molecular Weight319.30 g/mol
Exact Mass317.92
IUPAC Name1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene
SMILESClc1ccc(SSSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2S3/c13-9-1-5-11(6-2-9)15-17-16-12-7-3-10(14)4-8-12/h1-8H
InChIKeyUCAOVHYMXYNICA-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.30
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene (CID 10969209) is 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene is Clc1ccc(SSSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene?
The InChIKey is UCAOVHYMXYNICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2S3/c13-9-1-5-11(6-2-9)15-17-16-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene?
1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene has a molecular weight of 319.30 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)trisulfanyl]benzene is sourced from PubChem (CID 10969209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).