4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione

C6H4S4 — CID 59349721

IUPAC4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C6H4S4/c1-2-3(7)5(9)6(10)4(2)8/h7H,1H3
InChIKeyHAENVUXRXLSJHP-UHFFFAOYSA-N
MW204.37 g/mol
LogP3.35
Rot. Bonds

About 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione

4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (PubChem CID 59349721) has the molecular formula C6H4S4 and a molecular weight of 204.37 g/mol. Its IUPAC name is 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.

Molecular Properties

Compound Name4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
PubChem CID59349721
Molecular FormulaC6H4S4
Molecular Weight204.37 g/mol
Exact Mass203.92
IUPAC Name4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C6H4S4/c1-2-3(7)5(9)6(10)4(2)8/h7H,1H3
InChIKeyHAENVUXRXLSJHP-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The IUPAC name of 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (CID 59349721) is 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.
What is the SMILES notation for 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The canonical SMILES for 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is Cc1c(S)c(=S)c(=S)c1=S.
What is the InChIKey of 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The InChIKey is HAENVUXRXLSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4S4/c1-2-3(7)5(9)6(10)4(2)8/h7H,1H3.
What are the key properties of 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione has a molecular weight of 204.37 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is sourced from PubChem (CID 59349721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).