2-Aminothiazole-4-carbonitrile - CAS 98027-21-5
Catalog: |
BB042098 |
Product Name: |
2-Aminothiazole-4-carbonitrile |
CAS: |
98027-21-5 |
Synonyms: |
2-amino-4-thiazolecarbonitrile; 2-amino-1,3-thiazole-4-carbonitrile |
IUPAC Name: | 2-amino-1,3-thiazole-4-carbonitrile |
Description: | 2-Aminothiazole-4-carbonitrile (CAS# 98027-21-5) is a useful research chemical. |
Molecular Weight: | 125.15 |
Molecular Formula: | C4H3N3S |
Canonical SMILES: | C1=C(N=C(S1)N)C#N |
InChI: | InChI=1S/C4H3N3S/c5-1-3-2-8-4(6)7-3/h2H,(H2,6,7) |
InChI Key: | YWADAVLEEDKKHR-UHFFFAOYSA-N |
Boiling Point: | 330 °C |
Density: | 1.45 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD00233420 |
LogP: | 1.17818 |
Publication Number | Title | Priority Date |
AU-2018209271-A1 | Adenosine A3 receptor modulators | 20170120 |
BR-112019012464-A2 | a3 adenosine receptor modulators | 20170120 |
CA-3048604-A1 | Modulators of the adenosine a3 receptors | 20170120 |
CN-110198939-A | The regulator of adenosine A 3 receptor | 20170120 |
ES-2676535-A1 | ADENOSINE A3 RECEIVERS MODULATORS | 20170120 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.00476828 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.00476828 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 90.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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