3-Ethyl-5-(methylthio)-4H-1,2,4-triazol-4-amine - CAS 98070-06-5

Catalog:	BB048555
Product Name:	3-Ethyl-5-(methylthio)-4H-1,2,4-triazol-4-amine
CAS:	98070-06-5
Synonyms:	3-Ethyl-5-methylsulfanyl-[1,2,4]triazol-4-ylamine; 3-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-ethyl-5-methylthio-1,2,4-triazole-4-ylamine

Technical Data

Computed Properties

IUPAC Name:	3-ethyl-5-methylsulfanyl-1,2,4-triazol-4-amine
Description:	3-Ethyl-5-(methylthio)-4H-1,2,4-triazol-4-amine (CAS# 98070-06-5 ) is a useful research chemical.
Molecular Weight:	158.23
Molecular Formula:	C5H10N4S
Canonical SMILES:	CCC1=NN=C(N1N)SC
InChI:	InChI=1S/C5H10N4S/c1-3-4-7-8-5(10-2)9(4)6/h3,6H2,1-2H3
InChI Key:	RFTLEJSTCOBBDX-UHFFFAOYSA-N
Boiling Point:	356.1±25.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Amines and Anilines

[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate

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:	0.9