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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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2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Sulfur Compounds

[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[21124-33-4]
Ammonium diethyldithiocarbamate
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[117717-02-9]
3-Chloro-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-amine hydrochloride

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[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
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate

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