1,4-dithiane-2,3-dithiol

C4H8S4 — CID 71416068

IUPAC1,4-dithiane-2,3-dithiol
SMILESSC1SCCSC1S
InChIInChI=1S/C4H8S4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2
InChIKeyYJXTVDOEGWNHLK-UHFFFAOYSA-N
MW184.38 g/mol
LogP1.98
Rot. Bonds

About 1,4-dithiane-2,3-dithiol

1,4-dithiane-2,3-dithiol (PubChem CID 71416068) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 1,4-dithiane-2,3-dithiol.

Molecular Properties

Compound Name1,4-dithiane-2,3-dithiol
PubChem CID71416068
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name1,4-dithiane-2,3-dithiol
SMILESSC1SCCSC1S
InChIInChI=1S/C4H8S4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2
InChIKeyYJXTVDOEGWNHLK-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 51.98
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 1,4-dithiane-2,3-dithiol?
The IUPAC name of 1,4-dithiane-2,3-dithiol (CID 71416068) is 1,4-dithiane-2,3-dithiol.
What is the SMILES notation for 1,4-dithiane-2,3-dithiol?
The canonical SMILES for 1,4-dithiane-2,3-dithiol is SC1SCCSC1S.
What is the InChIKey of 1,4-dithiane-2,3-dithiol?
The InChIKey is YJXTVDOEGWNHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2.
What are the key properties of 1,4-dithiane-2,3-dithiol?
1,4-dithiane-2,3-dithiol has a molecular weight of 184.38 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithiane-2,3-dithiol is sourced from PubChem (CID 71416068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).