6-Methyl-1,4-oxathian-2-one
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Basic information
- CAS
7670-39-5- Standard SMILES
CC1CSCC(=O)O1- InChIKey
BVDFPTLZIFPCAH-UHFFFAOYSA-N- Molecular formula
- C5H8O2S
- Average molar mass
- 132.18 g/mol
- Monoisotopic mass
- 132.02450067
Names & identifiers
- Preferred name
- 6-Methyl-1,4-oxathian-2-one
- IUPAC
- 6-methyl-1,4-oxathian-2-one
- English name
- 6-Methyl-1,4-oxathian-2-one
- Molecular formula
- C5H8O2S
- Molecular weight
- 132.18
Names & synonyms
6-Methyl-1,4-oxathian-2-one1,4-Oxathian-2-one, 6-methyl-7670-39-5DTXSID70339955BVDFPTLZIFPCAH-UHFFFAOYSA-N6-Methyl-1,4-oxathian-2-one #Acetic acid, [(2-hydroxypropyl)thio]-, .delta.-lactone
Database identifiers
- CAS
7670-39-5- PubChem CID
- 560301
- DTXSID
DTXSID70339955- Nikkaji
- J109.937J
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 110 · 110-130 °C(Press: 1.5 Torr)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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