4H-1,3-oxathiine

C4H6OS — CID 19991511

IUPAC4H-1,3-oxathiine
SMILESC1=COCSC1
InChIInChI=1S/C4H6OS/c1-2-5-4-6-3-1/h1-2H,3-4H2
InChIKeyIWVOZIYPCRRCFQ-UHFFFAOYSA-N
MW102.16 g/mol
LogP1.22
Rot. Bonds

About 4H-1,3-oxathiine

4H-1,3-oxathiine (PubChem CID 19991511) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 4H-1,3-oxathiine.

Molecular Properties

Compound Name4H-1,3-oxathiine
PubChem CID19991511
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name4H-1,3-oxathiine
SMILESC1=COCSC1
InChIInChI=1S/C4H6OS/c1-2-5-4-6-3-1/h1-2H,3-4H2
InChIKeyIWVOZIYPCRRCFQ-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 4H-1,3-oxathiine?
The IUPAC name of 4H-1,3-oxathiine (CID 19991511) is 4H-1,3-oxathiine.
What is the SMILES notation for 4H-1,3-oxathiine?
The canonical SMILES for 4H-1,3-oxathiine is C1=COCSC1.
What is the InChIKey of 4H-1,3-oxathiine?
The InChIKey is IWVOZIYPCRRCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c1-2-5-4-6-3-1/h1-2H,3-4H2.
What are the key properties of 4H-1,3-oxathiine?
4H-1,3-oxathiine 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 4H-1,3-oxathiine is sourced from PubChem (CID 19991511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).