1-(1,3,5-Trithian-2-yl)propan-2-one
Basic information
- CAS
57274-65-4- Standard SMILES
CC(=O)CC1SCSCS1- InChIKey
AWCUIYISXOLDSE-UHFFFAOYSA-N- Molecular formula
- C6H10OS3
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 193.98937846
Names & identifiers
- Preferred name
- 1-(1,3,5-Trithian-2-yl)propan-2-one
- IUPAC
- 1-(1,3,5-trithian-2-yl)propan-2-one
- English name
- 1-(1,3,5-Trithian-2-yl)-2-propanone
- Molecular formula
- C6H10OS3
- Molecular weight
- 194.34
Names & synonyms
57274-65-41-(1,3,5-trithian-2-yl)propan-2-oneDTXSID20337229RefChem:222295DTXCID102883171-(1,3,5-Trithian-2-yl)-2-propanone2-Propanone, 1-(1,3,5-trithian-2-yl)-AWCUIYISXOLDSE-UHFFFAOYSA-N1-(1,3,5-Trithian-2-yl)acetone #DB-258545
Database identifiers
- CAS
57274-65-4- PubChem CID
- 540326
- DTXSID
DTXSID20337229- Nikkaji
- J111.407G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 320.6 · 320.6±22.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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