3-(Ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine - CAS 449745-60-2
Catalog: |
BB046530 |
Product Name: |
3-(Ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine |
CAS: |
449745-60-2 |
Synonyms: |
3-(ethylthio)-5-methyl-4h-1,2,4-triazol-4-amine; 3-Ethylsulfanyl-5-methyl-[1,2,4]triazol-4-ylamine; 5-ethylthio-3-methyl-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine |
Description: | 3-(Ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine (CAS# 449745-60-2 ) is a useful research chemical. |
Molecular Weight: | 158.23 |
Molecular Formula: | C5H10N4S |
Canonical SMILES: | CCSC1=NN=C(N1N)C |
InChI: | InChI=1S/C5H10N4S/c1-3-10-5-8-7-4(2)9(5)6/h3,6H2,1-2H3 |
InChI Key: | AYRMQCVCHWVABF-UHFFFAOYSA-N |
Boiling Point: | 356.1±25.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.06261751 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.06261751 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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