2,4,6-trimethyl-1,3,5-trithiane

C6H12S3 — CID 17696

IUPAC2,4,6-trimethyl-1,3,5-trithiane
SMILESCC1SC(C)SC(C)S1
InChIInChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKeyXQVYLDFSPBXACS-UHFFFAOYSA-N
MW180.36 g/mol
LogP3.24
Rot. Bonds

About 2,4,6-trimethyl-1,3,5-trithiane

2,4,6-trimethyl-1,3,5-trithiane (PubChem CID 17696) has the molecular formula C6H12S3 and a molecular weight of 180.36 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,3,5-trithiane.

Molecular Properties

Compound Name2,4,6-trimethyl-1,3,5-trithiane
PubChem CID17696
Molecular FormulaC6H12S3
Molecular Weight180.36 g/mol
Exact Mass180.01
IUPAC Name2,4,6-trimethyl-1,3,5-trithiane
SMILESCC1SC(C)SC(C)S1
InChIInChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKeyXQVYLDFSPBXACS-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trimethyl-1,3,5-trithiane 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 2,4,6-trimethyl-1,3,5-trithiane?
The IUPAC name of 2,4,6-trimethyl-1,3,5-trithiane (CID 17696) is 2,4,6-trimethyl-1,3,5-trithiane.
What is the SMILES notation for 2,4,6-trimethyl-1,3,5-trithiane?
The canonical SMILES for 2,4,6-trimethyl-1,3,5-trithiane is CC1SC(C)SC(C)S1.
What is the InChIKey of 2,4,6-trimethyl-1,3,5-trithiane?
The InChIKey is XQVYLDFSPBXACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,3,5-trithiane?
2,4,6-trimethyl-1,3,5-trithiane has a molecular weight of 180.36 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,3,5-trithiane is sourced from PubChem (CID 17696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).