1,3-dithiolane-4,5-dithiol

C3H6S4 — CID 11715246

IUPAC1,3-dithiolane-4,5-dithiol
SMILESSC1SCSC1S
InChIInChI=1S/C3H6S4/c4-2-3(5)7-1-6-2/h2-5H,1H2
InChIKeyNTLIFDXPWIJDEB-UHFFFAOYSA-N
MW170.35 g/mol
LogP1.94
Rot. Bonds

About 1,3-dithiolane-4,5-dithiol

1,3-dithiolane-4,5-dithiol (PubChem CID 11715246) has the molecular formula C3H6S4 and a molecular weight of 170.35 g/mol. Its IUPAC name is 1,3-dithiolane-4,5-dithiol.

Molecular Properties

Compound Name1,3-dithiolane-4,5-dithiol
PubChem CID11715246
Molecular FormulaC3H6S4
Molecular Weight170.35 g/mol
Exact Mass169.94
IUPAC Name1,3-dithiolane-4,5-dithiol
SMILESSC1SCSC1S
InChIInChI=1S/C3H6S4/c4-2-3(5)7-1-6-2/h2-5H,1H2
InChIKeyNTLIFDXPWIJDEB-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,3-dithiolane-4,5-dithiol?
The IUPAC name of 1,3-dithiolane-4,5-dithiol (CID 11715246) is 1,3-dithiolane-4,5-dithiol.
What is the SMILES notation for 1,3-dithiolane-4,5-dithiol?
The canonical SMILES for 1,3-dithiolane-4,5-dithiol is SC1SCSC1S.
What is the InChIKey of 1,3-dithiolane-4,5-dithiol?
The InChIKey is NTLIFDXPWIJDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S4/c4-2-3(5)7-1-6-2/h2-5H,1H2.
What are the key properties of 1,3-dithiolane-4,5-dithiol?
1,3-dithiolane-4,5-dithiol has a molecular weight of 170.35 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiolane-4,5-dithiol is sourced from PubChem (CID 11715246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).