1,2-dichloro-4-(disulfanyl)benzene

C6H4Cl2S2 — CID 117033810

IUPAC1,2-dichloro-4-(disulfanyl)benzene
SMILESSSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2S2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,9H
InChIKeyWNWZZMKUSAMTIX-UHFFFAOYSA-N
MW211.14 g/mol
LogP3.93
Rot. Bonds1

About 1,2-dichloro-4-(disulfanyl)benzene

1,2-dichloro-4-(disulfanyl)benzene (PubChem CID 117033810) has the molecular formula C6H4Cl2S2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 1,2-dichloro-4-(disulfanyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(disulfanyl)benzene
PubChem CID117033810
Molecular FormulaC6H4Cl2S2
Molecular Weight211.14 g/mol
Exact Mass209.91
IUPAC Name1,2-dichloro-4-(disulfanyl)benzene
SMILESSSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2S2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,9H
InChIKeyWNWZZMKUSAMTIX-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(disulfanyl)benzene?
The IUPAC name of 1,2-dichloro-4-(disulfanyl)benzene (CID 117033810) is 1,2-dichloro-4-(disulfanyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(disulfanyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(disulfanyl)benzene is SSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(disulfanyl)benzene?
The InChIKey is WNWZZMKUSAMTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2S2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,9H.
What are the key properties of 1,2-dichloro-4-(disulfanyl)benzene?
1,2-dichloro-4-(disulfanyl)benzene has a molecular weight of 211.14 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(disulfanyl)benzene is sourced from PubChem (CID 117033810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).