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

Technical Data

Computed Properties

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 °C at 760 mmHg
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate

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