1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene

C12H6Cl4S2 — CID 601060

IUPAC1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene
SMILESClc1ccc(SSc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl4S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H
InChIKeyHQZNUGISESNNMQ-UHFFFAOYSA-N
MW356.13 g/mol
LogP7.10
Rot. Bonds3

About 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene

1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene (PubChem CID 601060) has the molecular formula C12H6Cl4S2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene
PubChem CID601060
Molecular FormulaC12H6Cl4S2
Molecular Weight356.13 g/mol
Exact Mass353.87
IUPAC Name1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene
SMILESClc1ccc(SSc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl4S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H
InChIKeyHQZNUGISESNNMQ-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.13
LogP ≤ 57.10
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 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene (CID 601060) is 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene is Clc1ccc(SSc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene?
The InChIKey is HQZNUGISESNNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H.
What are the key properties of 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene?
1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene has a molecular weight of 356.13 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene is sourced from PubChem (CID 601060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).