5-(1-Methyl-4-nitro-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine - CAS 1946818-28-5
Catalog: |
BB051109 |
Product Name: |
5-(1-Methyl-4-nitro-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine |
CAS: |
1946818-28-5 |
Synonyms: |
1,3,4-Thiadiazol-2-amine, 5-(1-methyl-4-nitro-1H-pyrazol-5-yl)- |
IUPAC Name: | 5-(2-methyl-4-nitropyrazol-3-yl)-1,3,4-thiadiazol-2-amine |
Molecular Weight: | 226.22 |
Molecular Formula: | C6H6N6O2S |
Canonical SMILES: | CN1C(=C(C=N1)[N+](=O)[O-])C2=NN=C(S2)N |
InChI: | InChI=1S/C6H6N6O2S/c1-11-4(3(2-8-11)12(13)14)5-9-10-6(7)15-5/h2H,1H3,(H2,7,10) |
InChI Key: | SWOZTHZTXZPKIO-UHFFFAOYSA-N |
Boiling Point: | 508.9±60.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 2.0±0.1 g/cm3 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.02729463 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.02729463 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 144 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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