3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine - CAS 217788-67-5
Catalog: |
BB048036 |
Product Name: |
3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine |
CAS: |
217788-67-5 |
Synonyms: |
1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine, 3-propyl- |
IUPAC Name: | 3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine |
Description: | 3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CAS# 217788-67-5 ) is a useful research chemical. |
Molecular Weight: | 183.24 |
Molecular Formula: | C6H9N5S |
Canonical SMILES: | CCCC1=NN=C2N1N=C(S2)N |
InChI: | InChI=1S/C6H9N5S/c1-2-3-4-8-9-6-11(4)10-5(7)12-6/h2-3H2,1H3,(H2,7,10) |
InChI Key: | XLEQTKKISZEHBF-UHFFFAOYSA-N |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05786648 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05786648 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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