2-Cyano-5-methylthiazole - CAS 100516-71-0
Catalog: |
BB000245 |
Product Name: |
2-Cyano-5-methylthiazole |
CAS: |
100516-71-0 |
Synonyms: |
5-methyl-2-thiazolecarbonitrile; 5-methyl-1,3-thiazole-2-carbonitrile |
IUPAC Name: | 5-methyl-1,3-thiazole-2-carbonitrile |
Description: | 2-Cyano-5-methylthiazole (CAS# 100516-71-0 ) is a useful research chemical. |
Molecular Weight: | 124.16 |
Molecular Formula: | C5H4N2S |
Canonical SMILES: | CC1=CN=C(S1)C#N |
InChI: | InChI=1S/C5H4N2S/c1-4-3-7-5(2-6)8-4/h3H,1H3 |
InChI Key: | NWVHXGICBVHAAB-UHFFFAOYSA-N |
Boiling Point: | 222.33 °C at 760 mmHg |
Density: | 1.256 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.32318 |
Publication Number | Title | Priority Date |
AU-2016323293-A1 | Hepatitis B core protein modulators | 20150915 |
CA-2998741-A1 | Hepatitis b core protein modulators | 20150915 |
CN-108347943-A | Hepatitis B core protein conditioning agent | 20150915 |
EP-3349580-A1 | Hepatitis b core protein modulators | 20150915 |
JP-2018531918-A | Hepatitis B virus core protein modulator | 20150915 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.00951931 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.00951931 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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