Basic information
- CAS
806649-48-9- Standard SMILES
CCN(CC)CCc1csc(=O)n1C- InChIKey
SMMZKRXNXSGWJE-UHFFFAOYSA-N- Molecular formula
- C10H18N2OS
- Average molar mass
- 214.33 g/mol
- Monoisotopic mass
- 214.11398438
Names & identifiers
- Preferred name
- 4-[2-(Diethylamino)ethyl]-3-methyl-1,3-thiazol-2-one
- IUPAC
- 4-[2-(diethylamino)ethyl]-3-methyl-1,3-thiazol-2-one
- English name
- 2(3H)-Thiazolone,4-[2-(diethylamino)ethyl]-3-methyl-(9CI)
- Molecular formula
- C10H18N2OS
- Molecular weight
- 214.33
Names & synonyms
806649-48-9DB-2806622(3H)-THIAZOLONE, 4-[2-(DIETHYLAMINO)ETHYL]-3-METHYL-2(3H)-Thiazolone,4-[2-(diethylamino)ethyl]-3-methyl-(9CI)
Database identifiers
- CAS
806649-48-9- PubChem CID
- 45097378
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 298.6 · 298.6±42.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- 10.47 · 10.47±0.25(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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