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

C5H8O2S — CID 560301

IUPAC6-methyl-1,4-oxathian-2-one
SMILESCC1CSCC(=O)O1
InChIInChI=1S/C5H8O2S/c1-4-2-8-3-5(6)7-4/h4H,2-3H2,1H3
InChIKeyBVDFPTLZIFPCAH-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.66
Rot. Bonds

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

6-methyl-1,4-oxathian-2-one (PubChem CID 560301) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 6-methyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name6-methyl-1,4-oxathian-2-one
PubChem CID560301
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name6-methyl-1,4-oxathian-2-one
SMILESCC1CSCC(=O)O1
InChIInChI=1S/C5H8O2S/c1-4-2-8-3-5(6)7-4/h4H,2-3H2,1H3
InChIKeyBVDFPTLZIFPCAH-UHFFFAOYSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-oxathian-2-one?
The IUPAC name of 6-methyl-1,4-oxathian-2-one (CID 560301) is 6-methyl-1,4-oxathian-2-one.
What is the SMILES notation for 6-methyl-1,4-oxathian-2-one?
The canonical SMILES for 6-methyl-1,4-oxathian-2-one is CC1CSCC(=O)O1.
What is the InChIKey of 6-methyl-1,4-oxathian-2-one?
The InChIKey is BVDFPTLZIFPCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-4-2-8-3-5(6)7-4/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-1,4-oxathian-2-one?
6-methyl-1,4-oxathian-2-one has a molecular weight of 132.18 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-oxathian-2-one is sourced from PubChem (CID 560301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).