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

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

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Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[21124-33-4]
Ammonium diethyldithiocarbamate

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate

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