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

C8H8S4 — CID 59755482

IUPAC4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C8H8S4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h9H,2-3H2,1H3
InChIKeyWOUWKSAWHYDLLV-UHFFFAOYSA-N
MW232.42 g/mol
LogP3.99
Rot. Bonds2

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

4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (PubChem CID 59755482) has the molecular formula C8H8S4 and a molecular weight of 232.42 g/mol. Its IUPAC name is 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.

Molecular Properties

Compound Name4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
PubChem CID59755482
Molecular FormulaC8H8S4
Molecular Weight232.42 g/mol
Exact Mass231.95
IUPAC Name4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C8H8S4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h9H,2-3H2,1H3
InChIKeyWOUWKSAWHYDLLV-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 53.99
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-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The IUPAC name of 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (CID 59755482) is 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.
What is the SMILES notation for 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The canonical SMILES for 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is CCCc1c(S)c(=S)c(=S)c1=S.
What is the InChIKey of 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The InChIKey is WOUWKSAWHYDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h9H,2-3H2,1H3.
What are the key properties of 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione has a molecular weight of 232.42 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is sourced from PubChem (CID 59755482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).