7aH-[1,3]Thiazolo[3,2-d][1,2,4]oxadiazole
Basic information
- CAS
145555-80-2- Standard SMILES
C1=CN2C=NOC2S1- InChIKey
DKQIGGIDUOLVCN-UHFFFAOYSA-N- Molecular formula
- C4H4N2OS
- Average molar mass
- 128.15 g/mol
- Monoisotopic mass
- 128.00443393
Names & identifiers
- Preferred name
- 7aH-[1,3]Thiazolo[3,2-d][1,2,4]oxadiazole
- IUPAC
- 7aH-[1,3]thiazolo[3,2-d][1,2,4]oxadiazole
- English name
- 7aH-Thiazolo[3,2-d]-1,2,4-oxadiazole(9CI)
- Molecular formula
- C4H4N2OS
- Molecular weight
- 128.15
Names & synonyms
145555-80-27aH-[1,3]Thiazolo[3,2-d][1,2,4]oxadiazole7ah-thiazolo[3,2-d]-1,2,4-oxadiazoleDTXSID90666073DB-2640327aH-Thiazolo[3,2-d]-1,2,4-oxadiazole(9CI)
Database identifiers
- CAS
145555-80-2- PubChem CID
- 45087366
- DTXSID
DTXSID90666073
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 227.2 · 227.2±43.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -3.34 · -3.34±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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