3-ethyl-5-methyl-1,2,4-trithiolane

C5H10S3 — CID 6428834

IUPAC3-ethyl-5-methyl-1,2,4-trithiolane
SMILESCCC1SSC(C)S1
InChIInChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3
InChIKeySHLIDHGBMLQTDS-UHFFFAOYSA-N
MW166.34 g/mol
LogP3.20
Rot. Bonds1

About 3-ethyl-5-methyl-1,2,4-trithiolane

3-ethyl-5-methyl-1,2,4-trithiolane (PubChem CID 6428834) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1,2,4-trithiolane.

Molecular Properties

Compound Name3-ethyl-5-methyl-1,2,4-trithiolane
PubChem CID6428834
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name3-ethyl-5-methyl-1,2,4-trithiolane
SMILESCCC1SSC(C)S1
InChIInChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3
InChIKeySHLIDHGBMLQTDS-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-5-methyl-1,2,4-trithiolane 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 3-ethyl-5-methyl-1,2,4-trithiolane?
The IUPAC name of 3-ethyl-5-methyl-1,2,4-trithiolane (CID 6428834) is 3-ethyl-5-methyl-1,2,4-trithiolane.
What is the SMILES notation for 3-ethyl-5-methyl-1,2,4-trithiolane?
The canonical SMILES for 3-ethyl-5-methyl-1,2,4-trithiolane is CCC1SSC(C)S1.
What is the InChIKey of 3-ethyl-5-methyl-1,2,4-trithiolane?
The InChIKey is SHLIDHGBMLQTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-1,2,4-trithiolane?
3-ethyl-5-methyl-1,2,4-trithiolane has a molecular weight of 166.34 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1,2,4-trithiolane is sourced from PubChem (CID 6428834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).