4-Thiazoleacetonitrile, 2-amino-
Basic information
- CAS
220041-34-9- Standard SMILES
N#CCc1csc(N)n1- InChIKey
DHRQSJINSYOHKG-UHFFFAOYSA-N- Molecular formula
- C5H5N3S
- Average molar mass
- 139.18 g/mol
- Monoisotopic mass
- 139.02041835
Names & identifiers
- Preferred name
- 4-Thiazoleacetonitrile, 2-amino-
- IUPAC
- 2-(2-amino-1,3-thiazol-4-yl)acetonitrile
- English name
- 2-(2-aMinothiazol-4-yl)acetonitrile
- Molecular formula
- C5H5N3S
- Molecular weight
- 139.18
Names & synonyms
4-Thiazoleacetonitrile, 2-amino-220041-34-92-(2-amino-1,3-thiazol-4-yl)acetonitrile2-(2-Aminothiazol-4-yl)acetonitrile2-Amino-4-thiazoleacetonitrileSCHEMBL1793994DHRQSJINSYOHKG-UHFFFAOYSA-N(2-Amino-thiazol-4-yl)-acetonitrileAKOS0063635562-(2-Aminothiazol-4-yl)acetonitrile, 97%
Database identifiers
- CAS
220041-34-9- PubChem CID
- 18689751
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 352 · 352.0±17.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 2.24 · 2.24±0.10(Predicted)
Related reactions
7 records
Compound notes
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