3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine - CAS 3176-51-0
Catalog: |
BB050114 |
Product Name: |
3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine |
CAS: |
3176-51-0 |
Synonyms: |
3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamine; NSC79004; 3-methyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoline-6-ylamine |
IUPAC Name: | 3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine |
Description: | 3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CAS# 3176-51-0 ) is a useful research chemical. |
Molecular Weight: | 155.18 |
Molecular Formula: | C4H5N5S |
Canonical SMILES: | CC1=NN=C2N1N=C(S2)N |
InChI: | InChI=1S/C4H5N5S/c1-2-6-7-4-9(2)8-3(5)10-4/h1H3,(H2,5,8) |
InChI Key: | MSEQOANGAYRVAI-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 2.06±0.1 g/cm3 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.02656635 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.02656635 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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