2,6-dichlorobenzene-1,4-dithiol

C6H4Cl2S2 — CID 18766709

IUPAC2,6-dichlorobenzene-1,4-dithiol
SMILESSc1cc(Cl)c(S)c(Cl)c1
InChIInChI=1S/C6H4Cl2S2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
InChIKeyUSCNASLYPRUTNH-UHFFFAOYSA-N
MW211.14 g/mol
LogP3.57
Rot. Bonds

About 2,6-dichlorobenzene-1,4-dithiol

2,6-dichlorobenzene-1,4-dithiol (PubChem CID 18766709) has the molecular formula C6H4Cl2S2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2,6-dichlorobenzene-1,4-dithiol.

Molecular Properties

Compound Name2,6-dichlorobenzene-1,4-dithiol
PubChem CID18766709
Molecular FormulaC6H4Cl2S2
Molecular Weight211.14 g/mol
Exact Mass209.91
IUPAC Name2,6-dichlorobenzene-1,4-dithiol
SMILESSc1cc(Cl)c(S)c(Cl)c1
InChIInChI=1S/C6H4Cl2S2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
InChIKeyUSCNASLYPRUTNH-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzene-1,4-dithiol?
The IUPAC name of 2,6-dichlorobenzene-1,4-dithiol (CID 18766709) is 2,6-dichlorobenzene-1,4-dithiol.
What is the SMILES notation for 2,6-dichlorobenzene-1,4-dithiol?
The canonical SMILES for 2,6-dichlorobenzene-1,4-dithiol is Sc1cc(Cl)c(S)c(Cl)c1.
What is the InChIKey of 2,6-dichlorobenzene-1,4-dithiol?
The InChIKey is USCNASLYPRUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2S2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H.
What are the key properties of 2,6-dichlorobenzene-1,4-dithiol?
2,6-dichlorobenzene-1,4-dithiol has a molecular weight of 211.14 g/mol, XLogP of 3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzene-1,4-dithiol is sourced from PubChem (CID 18766709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).