2,4,6-triethyl-1,3,5-oxadithiane

C9H18OS2 — CID 131752465

IUPAC2,4,6-triethyl-1,3,5-oxadithiane
SMILESCCC1OC(CC)SC(CC)S1
InChIInChI=1S/C9H18OS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
InChIKeyGQNYEPIOQFSEAZ-UHFFFAOYSA-N
MW206.38 g/mol
LogP3.69
Rot. Bonds3

About 2,4,6-triethyl-1,3,5-oxadithiane

2,4,6-triethyl-1,3,5-oxadithiane (PubChem CID 131752465) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 2,4,6-triethyl-1,3,5-oxadithiane.

Molecular Properties

Compound Name2,4,6-triethyl-1,3,5-oxadithiane
PubChem CID131752465
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name2,4,6-triethyl-1,3,5-oxadithiane
SMILESCCC1OC(CC)SC(CC)S1
InChIInChI=1S/C9H18OS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
InChIKeyGQNYEPIOQFSEAZ-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-1,3,5-oxadithiane?
The IUPAC name of 2,4,6-triethyl-1,3,5-oxadithiane (CID 131752465) is 2,4,6-triethyl-1,3,5-oxadithiane.
What is the SMILES notation for 2,4,6-triethyl-1,3,5-oxadithiane?
The canonical SMILES for 2,4,6-triethyl-1,3,5-oxadithiane is CCC1OC(CC)SC(CC)S1.
What is the InChIKey of 2,4,6-triethyl-1,3,5-oxadithiane?
The InChIKey is GQNYEPIOQFSEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,4,6-triethyl-1,3,5-oxadithiane?
2,4,6-triethyl-1,3,5-oxadithiane has a molecular weight of 206.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-1,3,5-oxadithiane is sourced from PubChem (CID 131752465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).