3-methylidene-1,4-oxathiane

C5H8OS — CID 12602856

IUPAC3-methylidene-1,4-oxathiane
SMILESC=C1COCCS1
InChIInChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h1-4H2
InChIKeyGSQAMLOQXQKZLT-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.26
Rot. Bonds

About 3-methylidene-1,4-oxathiane

3-methylidene-1,4-oxathiane (PubChem CID 12602856) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 3-methylidene-1,4-oxathiane.

Molecular Properties

Compound Name3-methylidene-1,4-oxathiane
PubChem CID12602856
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name3-methylidene-1,4-oxathiane
SMILESC=C1COCCS1
InChIInChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h1-4H2
InChIKeyGSQAMLOQXQKZLT-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,4-oxathiane?
The IUPAC name of 3-methylidene-1,4-oxathiane (CID 12602856) is 3-methylidene-1,4-oxathiane.
What is the SMILES notation for 3-methylidene-1,4-oxathiane?
The canonical SMILES for 3-methylidene-1,4-oxathiane is C=C1COCCS1.
What is the InChIKey of 3-methylidene-1,4-oxathiane?
The InChIKey is GSQAMLOQXQKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-5-4-6-2-3-7-5/h1-4H2.
What are the key properties of 3-methylidene-1,4-oxathiane?
3-methylidene-1,4-oxathiane has a molecular weight of 116.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1,4-oxathiane is sourced from PubChem (CID 12602856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).