2-Amino-4-tert-butylthiazole-5-carbonitrile - CAS 303994-99-2
Catalog: |
BB054665 |
Product Name: |
2-Amino-4-tert-butylthiazole-5-carbonitrile |
CAS: |
303994-99-2 |
Synonyms: |
2-Amino-5-cyano-4-[(1,1-dimethyl)ethyl]thiazole; 5-Thiazolecarbonitrile, 2-amino-4-(1,1-dimethylethyl)-; 2-Amino-4-(1,1-dimethylethyl)-5-thiazolecarbonitrile; 2-Amino-4-(2-methyl-2-propanyl)-1,3-thiazole-5-carbonitrile |
IUPAC Name: | 2-amino-4-tert-butyl-1,3-thiazole-5-carbonitrile |
Molecular Weight: | 181.26 |
Molecular Formula: | C8H11N3S |
Canonical SMILES: | CC(C)(C)C1=C(SC(=N1)N)C#N |
InChI: | InChI=1S/C8H11N3S/c1-8(2,3)6-5(4-9)12-7(10)11-6/h1-3H3,(H2,10,11) |
InChI Key: | SDNYSLVRFRAKGO-UHFFFAOYSA-N |
Boiling Point: | 344.0±22.0°C at 760 mmHg |
Melting Point: | 189-191°C |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.06736854 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.06736854 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 90.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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