3-[(1,3-Thiazol-2-ylamino)methylidene]oxolan-2-one
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Basic information
- CAS
380631-70-9- Standard SMILES
O=C1OCCC1=CNc1nccs1- InChIKey
JRDUOAHSQHQJMH-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2S
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.03064868
Names & identifiers
- Preferred name
- 3-[(1,3-Thiazol-2-ylamino)methylidene]oxolan-2-one
- IUPAC
- 3-[(1,3-thiazol-2-ylamino)methylidene]oxolan-2-one
- English name
- 3-((THIAZOL-2-YLAMINO)METHYLENE)DIHYDROFURAN-2(3H)-ONE
- Molecular formula
- C8H8N2O2S
- Molecular weight
- 196.23
Names & synonyms
380631-70-93-[(1,3-thiazol-2-ylamino)methylidene]oxolan-2-oneDTXSID50400733DB-2614583-{[(1,3-Thiazol-2-yl)amino]methylidene}oxolan-2-one3-((THIAZOL-2-YLAMINO)METHYLENE)DIHYDROFURAN-2(3H)-ONE
Database identifiers
- CAS
380631-70-9- PubChem CID
- 4198219
- DTXSID
DTXSID50400733
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 213 · 213-214 °C(Solvent: Ethanol)
- Boiling point
- 403.701 · 403.701±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.589 · 1.589±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.489 · 3.489±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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