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

C6H12S4 — CID 12579750

IUPAC3,6-diethyl-1,2,4,5-tetrathiane
SMILESCCC1SSC(CC)SS1
InChIInChI=1S/C6H12S4/c1-3-5-7-9-6(4-2)10-8-5/h5-6H,3-4H2,1-2H3
InChIKeyWASBDGZBDGMWMT-UHFFFAOYSA-N
MW212.43 g/mol
LogP4.24
Rot. Bonds2

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

3,6-diethyl-1,2,4,5-tetrathiane (PubChem CID 12579750) has the molecular formula C6H12S4 and a molecular weight of 212.43 g/mol. Its IUPAC name is 3,6-diethyl-1,2,4,5-tetrathiane.

Molecular Properties

Compound Name3,6-diethyl-1,2,4,5-tetrathiane
PubChem CID12579750
Molecular FormulaC6H12S4
Molecular Weight212.43 g/mol
Exact Mass211.98
IUPAC Name3,6-diethyl-1,2,4,5-tetrathiane
SMILESCCC1SSC(CC)SS1
InChIInChI=1S/C6H12S4/c1-3-5-7-9-6(4-2)10-8-5/h5-6H,3-4H2,1-2H3
InChIKeyWASBDGZBDGMWMT-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dipropyl tetrasulfide
CID 104285
3,6-Dimethyl-1,2,4,5-tetrathiane
CID 526613
Methyl propyl tetrasulphide
CID 528709
1,2-Dithiane
CID 136335
Methyl propyl pentasulfide
CID 528716
5-Methyl-1,2,3,4-tetrathiane
CID 5319787
3,3,6,6-Tetramethyl-1,2,4,5-tetrathiane
CID 73014
Diisopropyl tetrasulphide
CID 108886
Dipropyl pentasulfide
CID 14123238
5-Methylthio-1,2,3-trithiane
CID 12781306
5,5-Dimethyl-1,2,3,4-tetrathiane
CID 16664423
Dipropyl hexasulfide
CID 14123242

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1,2,4,5-tetrathiane?
The IUPAC name of 3,6-diethyl-1,2,4,5-tetrathiane (CID 12579750) is 3,6-diethyl-1,2,4,5-tetrathiane.
What is the SMILES notation for 3,6-diethyl-1,2,4,5-tetrathiane?
The canonical SMILES for 3,6-diethyl-1,2,4,5-tetrathiane is CCC1SSC(CC)SS1.
What is the InChIKey of 3,6-diethyl-1,2,4,5-tetrathiane?
The InChIKey is WASBDGZBDGMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S4/c1-3-5-7-9-6(4-2)10-8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,6-diethyl-1,2,4,5-tetrathiane?
3,6-diethyl-1,2,4,5-tetrathiane has a molecular weight of 212.43 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1,2,4,5-tetrathiane is sourced from PubChem (CID 12579750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).