5-methyltetrathiane

C3H6S4 — CID 5319787

IUPAC5-methyltetrathiane
SMILESCC1CSSSS1
InChIInChI=1S/C3H6S4/c1-3-2-4-6-7-5-3/h3H,2H2,1H3
InChIKeyMUHSSCIXCFPQHS-UHFFFAOYSA-N
MW170.35 g/mol
LogP3.07
Rot. Bonds

About 5-methyltetrathiane

5-methyltetrathiane (PubChem CID 5319787) has the molecular formula C3H6S4 and a molecular weight of 170.35 g/mol. Its IUPAC name is 5-methyltetrathiane.

Molecular Properties

Compound Name5-methyltetrathiane
PubChem CID5319787
Molecular FormulaC3H6S4
Molecular Weight170.35 g/mol
Exact Mass169.94
IUPAC Name5-methyltetrathiane
SMILESCC1CSSSS1
InChIInChI=1S/C3H6S4/c1-3-2-4-6-7-5-3/h3H,2H2,1H3
InChIKeyMUHSSCIXCFPQHS-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyltetrathiane 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

1,2,3-Trithiane
CID 123186
Tetrathiane
CID 593529
1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
6-Methyl-1,2,3,4,5-pentathiane
CID 6428809
Methyl 1,2,4,5-tetrathiane
CID 91753203
2-Sulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 13810810
2-Sulfanylidene-2-sulfido-1,3,2lambda5-dithiaphosphinane
CID 23418005
Trithiane-4,5-dithiol
CID 87111595
3-Methyl-6-propyl-1,2,4,5-tetrathiane
CID 87753033
5-Ethyltetrathiane
CID 88615059
2-Sulfanylidenetrithiane 2-oxide
CID 89703490
4-Methyl-2-sulfanylidenetrithiane
CID 126487751

Frequently Asked Questions

What is the IUPAC name of 5-methyltetrathiane?
The IUPAC name of 5-methyltetrathiane (CID 5319787) is 5-methyltetrathiane.
What is the SMILES notation for 5-methyltetrathiane?
The canonical SMILES for 5-methyltetrathiane is CC1CSSSS1.
What is the InChIKey of 5-methyltetrathiane?
The InChIKey is MUHSSCIXCFPQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S4/c1-3-2-4-6-7-5-3/h3H,2H2,1H3.
What are the key properties of 5-methyltetrathiane?
5-methyltetrathiane has a molecular weight of 170.35 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltetrathiane is sourced from PubChem (CID 5319787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).