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

C12H8Cl2S2 — CID 14360

IUPAC1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
SMILESClc1ccc(SSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKeyZIXXRXGPBFMPFD-UHFFFAOYSA-N
MW287.24 g/mol
LogP5.79
Rot. Bonds3

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

1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene (PubChem CID 14360) has the molecular formula C12H8Cl2S2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
PubChem CID14360
Molecular FormulaC12H8Cl2S2
Molecular Weight287.24 g/mol
Exact Mass285.94
IUPAC Name1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
SMILESClc1ccc(SSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKeyZIXXRXGPBFMPFD-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.24
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)disulfanyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene (CID 14360) is 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene is Clc1ccc(SSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene?
The InChIKey is ZIXXRXGPBFMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene?
1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene has a molecular weight of 287.24 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene is sourced from PubChem (CID 14360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).