Basic information
- CAS
35562-74-4- Standard SMILES
CC1SCCOC1=O- InChIKey
BAAGPNKNUHVFMV-UHFFFAOYSA-N- Molecular formula
- C5H8O2S
- Average molar mass
- 132.18 g/mol
- Monoisotopic mass
- 132.02450067
Names & identifiers
- Preferred name
- 1,4-Oxathian-2-one, 3-methyl-
- IUPAC
- 3-methyl-1,4-oxathian-2-one
- English name
- 3-Methyl-1,4-oxathian-2-one
- Molecular formula
- C5H8O2S
- Molecular weight
- 132.18
Names & synonyms
1,4-Oxathian-2-one, 3-methyl-35562-74-43-Methyl-1,4-oxathian-2-oneDTXSID00339963BAAGPNKNUHVFMV-UHFFFAOYSA-N3-Methyl-1,4-oxathian-2-one #DB-122749
Database identifiers
- CAS
35562-74-4- PubChem CID
- 560339
- DTXSID
DTXSID00339963- Nikkaji
- J109.936A
Properties
Computed structural properties
- 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
- 286.9 · 286.9±33.0 °C(Predicted)
- 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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