1,4-oxathiane

C8H16O2S2 — CID 157277006

IUPAC1,4-oxathiane
SMILESC1CSCCO1.C1CSCCO1
InChIInChI=1S/2C4H8OS/c2*1-3-6-4-2-5-1/h2*1-4H2
InChIKeyAZFLMCRLJHFBML-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.50
Rot. Bonds

About 1,4-oxathiane

1,4-oxathiane (PubChem CID 157277006) has the molecular formula C8H16O2S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,4-oxathiane.

Molecular Properties

Compound Name1,4-oxathiane
PubChem CID157277006
Molecular FormulaC8H16O2S2
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name1,4-oxathiane
SMILESC1CSCCO1.C1CSCCO1
InChIInChI=1S/2C4H8OS/c2*1-3-6-4-2-5-1/h2*1-4H2
InChIKeyAZFLMCRLJHFBML-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
Borane 1,4-thioxane
CID 11137144
1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321739
1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane
CID 158126715
1,4-dithiane;oxolane
CID 174407704
oxathiane;1,4-oxathiane
CID 163516955
oxane;thiane
CID 67464677
6-oxa-3,9-dithiabicyclo[9.2.2]pentadeca-1(13),11,14-triene
CID 5247297
12-methylidene-1,10-dioxa-4,7-dithiacyclotridecane
CID 102220840
3-methyl-1,4,7-oxadithionane
CID 10654920

Frequently Asked Questions

What is the IUPAC name of 1,4-oxathiane?
The IUPAC name of 1,4-oxathiane (CID 157277006) is 1,4-oxathiane.
What is the SMILES notation for 1,4-oxathiane?
The canonical SMILES for 1,4-oxathiane is C1CSCCO1.C1CSCCO1.
What is the InChIKey of 1,4-oxathiane?
The InChIKey is AZFLMCRLJHFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8OS/c2*1-3-6-4-2-5-1/h2*1-4H2.
What are the key properties of 1,4-oxathiane?
1,4-oxathiane has a molecular weight of 208.35 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxathiane is sourced from PubChem (CID 157277006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).