3-(Difluoromethyl)-5-(ethylthio)-4H-1,2,4-triazol-4-amine - CAS 832737-84-5
Catalog: |
BB046524 |
Product Name: |
3-(Difluoromethyl)-5-(ethylthio)-4H-1,2,4-triazol-4-amine |
CAS: |
832737-84-5 |
Synonyms: |
3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-Difluoromethyl-5-ethylsulfanyl-[1,2,4]triazol-4-ylamine; 5-(difluoromethyl)-3-ethylthio-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine |
Description: | 3-(Difluoromethyl)-5-(ethylthio)-4H-1,2,4-triazol-4-amine (CAS# 832737-84-5 ) is a useful research chemical. |
Molecular Weight: | 194.21 |
Molecular Formula: | C5H8F2N4S |
Canonical SMILES: | CCSC1=NN=C(N1N)C(F)F |
InChI: | InChI=1S/C5H8F2N4S/c1-2-12-5-10-9-4(3(6)7)11(5)8/h3H,2,8H2,1H3 |
InChI Key: | DFKHPFQZSYBRFJ-UHFFFAOYSA-N |
Boiling Point: | 340.7±52.0 ℃ at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.04377377 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.04377377 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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