6-hydroxy-1,4-oxathian-2-one

C4H6O3S — CID 123385393

IUPAC6-hydroxy-1,4-oxathian-2-one
SMILESO=C1CSCC(O)O1
InChIInChI=1S/C4H6O3S/c5-3-1-8-2-4(6)7-3/h3,5H,1-2H2
InChIKeyAAFJLVDBGXEEIU-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.41
Rot. Bonds

About 6-hydroxy-1,4-oxathian-2-one

6-hydroxy-1,4-oxathian-2-one (PubChem CID 123385393) has the molecular formula C4H6O3S and a molecular weight of 134.16 g/mol. Its IUPAC name is 6-hydroxy-1,4-oxathian-2-one.

Molecular Properties

Compound Name6-hydroxy-1,4-oxathian-2-one
PubChem CID123385393
Molecular FormulaC4H6O3S
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Name6-hydroxy-1,4-oxathian-2-one
SMILESO=C1CSCC(O)O1
InChIInChI=1S/C4H6O3S/c5-3-1-8-2-4(6)7-3/h3,5H,1-2H2
InChIKeyAAFJLVDBGXEEIU-UHFFFAOYSA-N
XLogP-0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-oxathian-2-one?
The IUPAC name of 6-hydroxy-1,4-oxathian-2-one (CID 123385393) is 6-hydroxy-1,4-oxathian-2-one.
What is the SMILES notation for 6-hydroxy-1,4-oxathian-2-one?
The canonical SMILES for 6-hydroxy-1,4-oxathian-2-one is O=C1CSCC(O)O1.
What is the InChIKey of 6-hydroxy-1,4-oxathian-2-one?
The InChIKey is AAFJLVDBGXEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S/c5-3-1-8-2-4(6)7-3/h3,5H,1-2H2.
What are the key properties of 6-hydroxy-1,4-oxathian-2-one?
6-hydroxy-1,4-oxathian-2-one has a molecular weight of 134.16 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-oxathian-2-one is sourced from PubChem (CID 123385393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).