3-Ethyl-5-(ethylthio)-4H-1,2,4-triazol-4-amine - CAS 449745-90-8
Catalog: |
BB048562 |
Product Name: |
3-Ethyl-5-(ethylthio)-4H-1,2,4-triazol-4-amine |
CAS: |
449745-90-8 |
Synonyms: |
3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-Ethyl-5-ethylsulfanyl-[1,2,4]triazol-4-ylamine; 5-ethyl-3-ethylthio-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine |
Description: | 3-Ethyl-5-(ethylthio)-4H-1,2,4-triazol-4-amine (CAS# 449745-90-8 ) is a useful research chemical. |
Molecular Weight: | 172.25 |
Molecular Formula: | C6H12N4S |
Canonical SMILES: | CCC1=NN=C(N1N)SCC |
InChI: | InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3 |
InChI Key: | OXLLCDWVFPLRIE-UHFFFAOYSA-N |
Boiling Point: | 362.0±25.0 ℃ at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07826757 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07826757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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