4-thiophen-2-ylsulfanylthiolane-2-thione

C8H8S4 — CID 14433406

IUPAC4-thiophen-2-ylsulfanylthiolane-2-thione
SMILESS=C1CC(Sc2cccs2)CS1
InChIInChI=1S/C8H8S4/c9-7-4-6(5-11-7)12-8-2-1-3-10-8/h1-3,6H,4-5H2
InChIKeyWLTXVRNQHOVGQG-UHFFFAOYSA-N
MW232.42 g/mol
LogP3.67
Rot. Bonds2

About 4-thiophen-2-ylsulfanylthiolane-2-thione

4-thiophen-2-ylsulfanylthiolane-2-thione (PubChem CID 14433406) has the molecular formula C8H8S4 and a molecular weight of 232.42 g/mol. Its IUPAC name is 4-thiophen-2-ylsulfanylthiolane-2-thione.

Molecular Properties

Compound Name4-thiophen-2-ylsulfanylthiolane-2-thione
PubChem CID14433406
Molecular FormulaC8H8S4
Molecular Weight232.42 g/mol
Exact Mass231.95
IUPAC Name4-thiophen-2-ylsulfanylthiolane-2-thione
SMILESS=C1CC(Sc2cccs2)CS1
InChIInChI=1S/C8H8S4/c9-7-4-6(5-11-7)12-8-2-1-3-10-8/h1-3,6H,4-5H2
InChIKeyWLTXVRNQHOVGQG-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylsulfanylthiolane-2-thione?
The IUPAC name of 4-thiophen-2-ylsulfanylthiolane-2-thione (CID 14433406) is 4-thiophen-2-ylsulfanylthiolane-2-thione.
What is the SMILES notation for 4-thiophen-2-ylsulfanylthiolane-2-thione?
The canonical SMILES for 4-thiophen-2-ylsulfanylthiolane-2-thione is S=C1CC(Sc2cccs2)CS1.
What is the InChIKey of 4-thiophen-2-ylsulfanylthiolane-2-thione?
The InChIKey is WLTXVRNQHOVGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S4/c9-7-4-6(5-11-7)12-8-2-1-3-10-8/h1-3,6H,4-5H2.
What are the key properties of 4-thiophen-2-ylsulfanylthiolane-2-thione?
4-thiophen-2-ylsulfanylthiolane-2-thione has a molecular weight of 232.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylsulfanylthiolane-2-thione is sourced from PubChem (CID 14433406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).