2-Aminothiazole-5-carbonitrile - CAS 51640-52-9
Catalog: |
BB027530 |
Product Name: |
2-Aminothiazole-5-carbonitrile |
CAS: |
51640-52-9 |
Synonyms: |
2-amino-1,3-thiazole-5-carbonitrile |
IUPAC Name: | 2-amino-1,3-thiazole-5-carbonitrile |
Description: | 2-Aminothiazole-5-carbonitrile (CAS# 51640-52-9) is a useful research chemical. |
Molecular Weight: | 125.15 |
Molecular Formula: | C4H3N3S |
Canonical SMILES: | C1=C(SC(=N1)N)C#N |
InChI: | InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7) |
InChI Key: | YJTBHWXNEMGNDC-UHFFFAOYSA-N |
Boiling Point: | 330.4 °C at 760 mmHg |
Melting Point: | 185-187 °C |
Purity: | 97 % |
Density: | 1.45 g/cm3 |
Appearance: | Solid |
Storage: | Keep Cold |
MDL: | MFCD08275724 |
LogP: | 1.17818 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020108613-A1 | Heteroaromatic derivatives for use as regulator, preparation method therefor and use thereof | 20181130 |
CN-111511738-A | Heteroaromatic derivative regulator, preparation method and application thereof | 20181130 |
TW-202033519-A | Heteroaromatic derivative regulator, its preparation method and application | 20181130 |
EP-3889152-A1 | Heteroaromatic derivatives for use as regulator, preparation method therefor and use thereof | 20181130 |
KR-20200032002-A | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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