2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane

C8H14O2S2 — CID 91117914

IUPAC2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane
SMILESC1COC(CCC2SCCS2)O1
InChIInChI=1S/C8H14O2S2/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h7-8H,1-6H2
InChIKeyZNZKRKVGEBREBY-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.95
Rot. Bonds3

About 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane

2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane (PubChem CID 91117914) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane
PubChem CID91117914
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane
SMILESC1COC(CCC2SCCS2)O1
InChIInChI=1S/C8H14O2S2/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h7-8H,1-6H2
InChIKeyZNZKRKVGEBREBY-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Dithian-2-ylmethyl)-1,3-dioxolane
CID 13952910
2-[2-(1,3-Dithian-2-yl)ethyl]-1,3-dioxolane
CID 583278
2-(Thiolan-2-yl)-1,3-dioxolane
CID 13082344
2-(1,3-Dioxolan-2-yl)-1,3-oxathiolane
CID 53971050
2-(1,3-Dithiolan-2-yl)-1,3-dioxolane
CID 57445536
1,3-Dioxolane;thiolane
CID 68649021
2-Methyl-1,3-dioxolane;2-methyl-1,3-dithiolane
CID 161579072

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane (CID 91117914) is 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane is C1COC(CCC2SCCS2)O1.
What is the InChIKey of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane?
The InChIKey is ZNZKRKVGEBREBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane?
2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane has a molecular weight of 206.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithiolan-2-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 91117914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).