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

C6H12S4 — CID 529378

IUPAC4,6-diethyl-1,2,3,5-tetrathiane
SMILESCCC1SSSC(CC)S1
InChIInChI=1S/C6H12S4/c1-3-5-7-6(4-2)9-10-8-5/h5-6H,3-4H2,1-2H3
InChIKeySBTJQRLWWVYRND-UHFFFAOYSA-N
MW212.43 g/mol
LogP4.24
Rot. Bonds2

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

4,6-diethyl-1,2,3,5-tetrathiane (PubChem CID 529378) has the molecular formula C6H12S4 and a molecular weight of 212.43 g/mol. Its IUPAC name is 4,6-diethyl-1,2,3,5-tetrathiane.

Molecular Properties

Compound Name4,6-diethyl-1,2,3,5-tetrathiane
PubChem CID529378
Molecular FormulaC6H12S4
Molecular Weight212.43 g/mol
Exact Mass211.98
IUPAC Name4,6-diethyl-1,2,3,5-tetrathiane
SMILESCCC1SSSC(CC)S1
InChIInChI=1S/C6H12S4/c1-3-5-7-6(4-2)9-10-8-5/h5-6H,3-4H2,1-2H3
InChIKeySBTJQRLWWVYRND-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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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-1,2,3,5-tetrathiane?
The IUPAC name of 4,6-diethyl-1,2,3,5-tetrathiane (CID 529378) is 4,6-diethyl-1,2,3,5-tetrathiane.
What is the SMILES notation for 4,6-diethyl-1,2,3,5-tetrathiane?
The canonical SMILES for 4,6-diethyl-1,2,3,5-tetrathiane is CCC1SSSC(CC)S1.
What is the InChIKey of 4,6-diethyl-1,2,3,5-tetrathiane?
The InChIKey is SBTJQRLWWVYRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S4/c1-3-5-7-6(4-2)9-10-8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,6-diethyl-1,2,3,5-tetrathiane?
4,6-diethyl-1,2,3,5-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 4,6-diethyl-1,2,3,5-tetrathiane is sourced from PubChem (CID 529378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).