4-(Dimethylaminomethylidene)-2-methylsulfanyl-1,3-thiazol-5-one
Basic information
- CAS
866038-82-6- Standard SMILES
CSC1=NC(=CN(C)C)C(=O)S1- InChIKey
JBVRUBNZURBQNC-UHFFFAOYSA-N- Molecular formula
- C7H10N2OS2
- Average molar mass
- 202.3 g/mol
Names & identifiers
- Preferred name
- 4-(Dimethylaminomethylidene)-2-methylsulfanyl-1,3-thiazol-5-one
- IUPAC
- 4-(dimethylaminomethylidene)-2-methylsulfanyl-1,3-thiazol-5-one
- English name
- 4-[(E)-(Dimethylamino)methylidene]-2-t(methylsulfanyl)-1,3-thiazol-5-(4H)one
- Molecular formula
- C7H10N2OS2
- Molecular weight
- 202.3
Names & synonyms
5(4H)-Thiazolone, 4-[(dimethylamino)methylene]-2-(methylthio)-4-[(E)-(Dimethylamino)methylidene]-2-t(methylsulfanyl)-1,3-thiazol-5-(4H)one(4Z)-4-[(dimethylamino)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one
Database identifiers
- CAS
866038-82-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 277.1 · 277.1±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 3.04 · 3.04±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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