(3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane

C5H10S3 — CID 71374493

IUPAC(3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane
SMILESCC[C@@H]1SS[C@@H](C)S1
InChIInChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeySHLIDHGBMLQTDS-WHFBIAKZSA-N
MW166.34 g/mol
LogP3.20
Rot. Bonds1

About (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane

(3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane (PubChem CID 71374493) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane.

Molecular Properties

Compound Name(3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane
PubChem CID71374493
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name(3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane
SMILESCC[C@@H]1SS[C@@H](C)S1
InChIInChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeySHLIDHGBMLQTDS-WHFBIAKZSA-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 (3S,5S)-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 (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane?
The IUPAC name of (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane (CID 71374493) is (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane.
What is the SMILES notation for (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane?
The canonical SMILES for (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane is CC[C@@H]1SS[C@@H](C)S1.
What is the InChIKey of (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane?
The InChIKey is SHLIDHGBMLQTDS-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane?
(3S,5S)-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 (3S,5S)-3-ethyl-5-methyl-1,2,4-trithiolane is sourced from PubChem (CID 71374493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).