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3-(Ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine

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

Technical Data

Computed Properties

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

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Related Functional Groups

Amines and Anilines

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2-Amino-3-nitro-6-(trifluoromethyl)pyridine

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

Triazole/Tetrazole

[1855888-97-9]
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[828291-81-2]
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[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823462-45-8]
Ethyl 2-(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:	0.8