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

C15H22S4 — CID 59755475

IUPAC4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCCCCCCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C15H22S4/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15(19)13(11)17/h16H,2-10H2,1H3
InChIKeyMOMXDAGAAFFXJK-UHFFFAOYSA-N
MW330.61 g/mol
LogP6.72
Rot. Bonds9

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

4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (PubChem CID 59755475) has the molecular formula C15H22S4 and a molecular weight of 330.61 g/mol. Its IUPAC name is 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.

Molecular Properties

Compound Name4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
PubChem CID59755475
Molecular FormulaC15H22S4
Molecular Weight330.61 g/mol
Exact Mass330.06
IUPAC Name4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCCCCCCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C15H22S4/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15(19)13(11)17/h16H,2-10H2,1H3
InChIKeyMOMXDAGAAFFXJK-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.61
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The IUPAC name of 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (CID 59755475) is 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.
What is the SMILES notation for 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The canonical SMILES for 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is CCCCCCCCCCc1c(S)c(=S)c(=S)c1=S.
What is the InChIKey of 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The InChIKey is MOMXDAGAAFFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22S4/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15(19)13(11)17/h16H,2-10H2,1H3.
What are the key properties of 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione has a molecular weight of 330.61 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is sourced from PubChem (CID 59755475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).