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

C13H8Cl4S2 — CID 517877

IUPAC1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
SMILESClc1ccc(SCSc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H8Cl4S2/c14-10-3-1-8(5-12(10)16)18-7-19-9-2-4-11(15)13(17)6-9/h1-6H,7H2
InChIKeyPVURINFQLWSBRK-UHFFFAOYSA-N
MW370.15 g/mol
LogP7.14
Rot. Bonds4

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

1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene (PubChem CID 517877) has the molecular formula C13H8Cl4S2 and a molecular weight of 370.15 g/mol. Its IUPAC name is 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
PubChem CID517877
Molecular FormulaC13H8Cl4S2
Molecular Weight370.15 g/mol
Exact Mass367.88
IUPAC Name1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
SMILESClc1ccc(SCSc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H8Cl4S2/c14-10-3-1-8(5-12(10)16)18-7-19-9-2-4-11(15)13(17)6-9/h1-6H,7H2
InChIKeyPVURINFQLWSBRK-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.15
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene (CID 517877) is 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene is Clc1ccc(SCSc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene?
The InChIKey is PVURINFQLWSBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4S2/c14-10-3-1-8(5-12(10)16)18-7-19-9-2-4-11(15)13(17)6-9/h1-6H,7H2.
What are the key properties of 1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene?
1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene has a molecular weight of 370.15 g/mol, XLogP of 7.14, 4 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)sulfanylmethylsulfanyl]benzene is sourced from PubChem (CID 517877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).