3-(Difluoromethyl)-5-(propylthio)-4H-1,2,4-triazol-4-amine - CAS 886496-00-0
Catalog: |
BB048595 |
Product Name: |
3-(Difluoromethyl)-5-(propylthio)-4H-1,2,4-triazol-4-amine |
CAS: |
886496-00-0 |
Synonyms: |
3-Difluoromethyl-5-propylsulfanyl-[1,2,4]triazol-4-ylamine; 3-(difluoromethyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine; 5-(difluoromethyl)-3-propylthio-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-(difluoromethyl)-5-propylsulfanyl-1,2,4-triazol-4-amine |
Description: | 3-(Difluoromethyl)-5-(propylthio)-4H-1,2,4-triazol-4-amine (CAS# 886496-00-0 ) is a useful research chemical. |
Molecular Weight: | 208.23 |
Molecular Formula: | C6H10F2N4S |
Canonical SMILES: | CCCSC1=NN=C(N1N)C(F)F |
InChI: | InChI=1S/C6H10F2N4S/c1-2-3-13-6-11-10-5(4(7)8)12(6)9/h4H,2-3,9H2,1H3 |
InChI Key: | FJODEEXYSLGWGR-UHFFFAOYSA-N |
Boiling Point: | 348.9±52.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.05942383 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.05942383 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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