3,5-dimethyl-1,2,4-trithiane

C5H10S3 — CID 6428901

IUPAC3,5-dimethyl-1,2,4-trithiane
SMILESCC1CSSC(C)S1
InChIInChI=1S/C5H10S3/c1-4-3-6-8-5(2)7-4/h4-5H,3H2,1-2H3
InChIKeyWGYYZGNXEPWBGI-UHFFFAOYSA-N
MW166.34 g/mol
LogP2.85
Rot. Bonds

About 3,5-dimethyl-1,2,4-trithiane

3,5-dimethyl-1,2,4-trithiane (PubChem CID 6428901) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-trithiane.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-trithiane
PubChem CID6428901
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name3,5-dimethyl-1,2,4-trithiane
SMILESCC1CSSC(C)S1
InChIInChI=1S/C5H10S3/c1-4-3-6-8-5(2)7-4/h4-5H,3H2,1-2H3
InChIKeyWGYYZGNXEPWBGI-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1,2,4-trithiane with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Dithiane
CID 10452
1,3-Dithiane
CID 10451
2,4,6-Trimethyl-1,3,5-trithiane
CID 17696
3-Methyl-1,2,4-trithiane
CID 65290
Ethane, 1,1-bis(ethylthio)-
CID 139711
2-Methyl-1,3-dithiane
CID 22329
2-Ethyl-1,3-dithiane
CID 521915
2,4,6-Triethyl-1,3,5-trithiane
CID 12487714
4,6-Diethyl-1,2,3,5-tetrathiane
CID 529378
2,5-Dimethyl-1,4-dithiane
CID 51520
Ethyl 1-(ethylthio)ethyl disulfide
CID 15109870
4,6-Dimethyl-1,2,3,5-tetrathiane
CID 526622

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-trithiane?
The IUPAC name of 3,5-dimethyl-1,2,4-trithiane (CID 6428901) is 3,5-dimethyl-1,2,4-trithiane.
What is the SMILES notation for 3,5-dimethyl-1,2,4-trithiane?
The canonical SMILES for 3,5-dimethyl-1,2,4-trithiane is CC1CSSC(C)S1.
What is the InChIKey of 3,5-dimethyl-1,2,4-trithiane?
The InChIKey is WGYYZGNXEPWBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c1-4-3-6-8-5(2)7-4/h4-5H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-trithiane?
3,5-dimethyl-1,2,4-trithiane has a molecular weight of 166.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-trithiane is sourced from PubChem (CID 6428901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).