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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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).