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

C17H26S4 — CID 59755465

IUPAC4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCCCCCCCCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C17H26S4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h18H,2-12H2,1H3
InChIKeyZFJBHWIQXZKNPM-UHFFFAOYSA-N
MW358.66 g/mol
LogP7.50
Rot. Bonds11

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

4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (PubChem CID 59755465) has the molecular formula C17H26S4 and a molecular weight of 358.66 g/mol. Its IUPAC name is 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.

Molecular Properties

Compound Name4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
PubChem CID59755465
Molecular FormulaC17H26S4
Molecular Weight358.66 g/mol
Exact Mass358.09
IUPAC Name4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione
SMILESCCCCCCCCCCCCc1c(S)c(=S)c(=S)c1=S
InChIInChI=1S/C17H26S4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h18H,2-12H2,1H3
InChIKeyZFJBHWIQXZKNPM-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.66
LogP ≤ 57.50
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'}

Analyze 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The IUPAC name of 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione (CID 59755465) is 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione.
What is the SMILES notation for 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The canonical SMILES for 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is CCCCCCCCCCCCc1c(S)c(=S)c(=S)c1=S.
What is the InChIKey of 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
The InChIKey is ZFJBHWIQXZKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26S4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(18)16(20)17(21)15(13)19/h18H,2-12H2,1H3.
What are the key properties of 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione?
4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione has a molecular weight of 358.66 g/mol, XLogP of 7.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-5-sulfanylcyclopent-4-ene-1,2,3-trithione is sourced from PubChem (CID 59755465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).