2-(1,4-dithian-2-yl)oxolane

C8H14OS2 — CID 91212340

IUPAC2-(1,4-dithian-2-yl)oxolane
SMILESC1COC(C2CSCCS2)C1
InChIInChI=1S/C8H14OS2/c1-2-7(9-3-1)8-6-10-4-5-11-8/h7-8H,1-6H2
InChIKeyYOMXAISOHKXVMO-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.01
Rot. Bonds1

About 2-(1,4-dithian-2-yl)oxolane

2-(1,4-dithian-2-yl)oxolane (PubChem CID 91212340) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)oxolane.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)oxolane
PubChem CID91212340
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name2-(1,4-dithian-2-yl)oxolane
SMILESC1COC(C2CSCCS2)C1
InChIInChI=1S/C8H14OS2/c1-2-7(9-3-1)8-6-10-4-5-11-8/h7-8H,1-6H2
InChIKeyYOMXAISOHKXVMO-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxa-4-thiaspiro[4.5]decane
CID 9094
8-Oxa-2-thia-bicyclo[3.2.1]octane
CID 91583386
(2R)-2-(1,3-dithian-2-yl)oxane
CID 134975053
(1S)-8-oxa-2-thiabicyclo[3.2.1]octane
CID 135028292
2-Cyclohexyloxythiolane
CID 12445266
2,5-Dibutyl-1,4-oxathiane
CID 19349494
2-(Thiolan-2-yl)oxane
CID 19768873
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
2-(Thiolan-2-yl)-1,4-dioxane
CID 57189122
1,3-Diethyl-2-oxa-6,10-dithiaspiro[4.5]decane
CID 58210260
S-(2-cyclohexyloxyethyl) 2-(thiolan-1-ium-1-yl)ethanethioate
CID 58780108
5-Ethyl-2-methyl-3-propylsulfanyloxolane
CID 59097587

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)oxolane?
The IUPAC name of 2-(1,4-dithian-2-yl)oxolane (CID 91212340) is 2-(1,4-dithian-2-yl)oxolane.
What is the SMILES notation for 2-(1,4-dithian-2-yl)oxolane?
The canonical SMILES for 2-(1,4-dithian-2-yl)oxolane is C1COC(C2CSCCS2)C1.
What is the InChIKey of 2-(1,4-dithian-2-yl)oxolane?
The InChIKey is YOMXAISOHKXVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-2-7(9-3-1)8-6-10-4-5-11-8/h7-8H,1-6H2.
What are the key properties of 2-(1,4-dithian-2-yl)oxolane?
2-(1,4-dithian-2-yl)oxolane has a molecular weight of 190.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)oxolane is sourced from PubChem (CID 91212340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).