2-methylidene-1,3-oxathiolane

C4H6OS — CID 19853579

IUPAC2-methylidene-1,3-oxathiolane
SMILESC=C1OCCS1
InChIInChI=1S/C4H6OS/c1-4-5-2-3-6-4/h1-3H2
InChIKeyVYLHBHZUHFNJBK-UHFFFAOYSA-N
MW102.16 g/mol
LogP1.22
Rot. Bonds

About 2-methylidene-1,3-oxathiolane

2-methylidene-1,3-oxathiolane (PubChem CID 19853579) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-methylidene-1,3-oxathiolane.

Molecular Properties

Compound Name2-methylidene-1,3-oxathiolane
PubChem CID19853579
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name2-methylidene-1,3-oxathiolane
SMILESC=C1OCCS1
InChIInChI=1S/C4H6OS/c1-4-5-2-3-6-4/h1-3H2
InChIKeyVYLHBHZUHFNJBK-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-oxathiolane?
The IUPAC name of 2-methylidene-1,3-oxathiolane (CID 19853579) is 2-methylidene-1,3-oxathiolane.
What is the SMILES notation for 2-methylidene-1,3-oxathiolane?
The canonical SMILES for 2-methylidene-1,3-oxathiolane is C=C1OCCS1.
What is the InChIKey of 2-methylidene-1,3-oxathiolane?
The InChIKey is VYLHBHZUHFNJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c1-4-5-2-3-6-4/h1-3H2.
What are the key properties of 2-methylidene-1,3-oxathiolane?
2-methylidene-1,3-oxathiolane has a molecular weight of 102.16 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-oxathiolane is sourced from PubChem (CID 19853579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).