3,6-dimethyl-1,2,4,5-tetrathiane

C4H8S4 — CID 526613

IUPAC3,6-dimethyl-1,2,4,5-tetrathiane
SMILESCC1SSC(C)SS1
InChIInChI=1S/C4H8S4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3
InChIKeyOLLSVBUNSGNIRV-UHFFFAOYSA-N
MW184.38 g/mol
LogP3.45
Rot. Bonds

About 3,6-dimethyl-1,2,4,5-tetrathiane

3,6-dimethyl-1,2,4,5-tetrathiane (PubChem CID 526613) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is 3,6-dimethyl-1,2,4,5-tetrathiane.

Molecular Properties

Compound Name3,6-dimethyl-1,2,4,5-tetrathiane
PubChem CID526613
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name3,6-dimethyl-1,2,4,5-tetrathiane
SMILESCC1SSC(C)SS1
InChIInChI=1S/C4H8S4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3
InChIKeyOLLSVBUNSGNIRV-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-1,2,4,5-tetrathiane 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

1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
Diethyl tetrasulfide
CID 83689
5-Methylthio-1,2,3-trithiane
CID 12781306
5,5-Dimethyl-1,2,3,4-tetrathiane
CID 16664423
Diethyl pentasulfide
CID 528710
2,3,6,7-Tetrathiaoctane
CID 6429067
4-Methyltrithiane
CID 5319805
6-Methyl-1,2,3,4,5-pentathiane
CID 6428809
3-(Ethylthio)-1,2,4-trithiane
CID 6429001
Methyl 1,2,4,5-tetrathiane
CID 91753203
(Ethylhexasulfanyl)ethane
CID 12940650
(Ethylheptasulfanyl)ethane
CID 14123248

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,2,4,5-tetrathiane?
The IUPAC name of 3,6-dimethyl-1,2,4,5-tetrathiane (CID 526613) is 3,6-dimethyl-1,2,4,5-tetrathiane.
What is the SMILES notation for 3,6-dimethyl-1,2,4,5-tetrathiane?
The canonical SMILES for 3,6-dimethyl-1,2,4,5-tetrathiane is CC1SSC(C)SS1.
What is the InChIKey of 3,6-dimethyl-1,2,4,5-tetrathiane?
The InChIKey is OLLSVBUNSGNIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3.
What are the key properties of 3,6-dimethyl-1,2,4,5-tetrathiane?
3,6-dimethyl-1,2,4,5-tetrathiane has a molecular weight of 184.38 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,2,4,5-tetrathiane is sourced from PubChem (CID 526613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).