3-(Ethylsulfanyl)-4H-1,2,4-triazol-4-amine - CAS 869941-58-2

Catalog:	BB049965
Product Name:	3-(Ethylsulfanyl)-4H-1,2,4-triazol-4-amine
CAS:	869941-58-2
Synonyms:	3-Ethylsulfanyl-[1,2,4]triazol-4-ylamine; 3-ethylthio-1,2,4-triazole-4-ylamine

Technical Data

Computed Properties

IUPAC Name:	3-ethylsulfanyl-1,2,4-triazol-4-amine
Description:	3-(Ethylsulfanyl)-4H-1,2,4-triazol-4-amine (CAS# 869941-58-2 ) is a useful research chemical.
Molecular Weight:	144.2
Molecular Formula:	C4H8N4S
Canonical SMILES:	CCSC1=NN=CN1N
InChI:	InChI=1S/C4H8N4S/c1-2-9-4-7-6-3-8(4)5/h3H,2,5H2,1H3
InChI Key:	FXSVQRANRHJRID-UHFFFAOYSA-N
Boiling Point:	336.0±25.0 °C at 760 mmHg

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Related Functional Groups

Amines and Anilines

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Sulfur Compounds

[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
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[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1879-16-9]
4-Methoxythioanisole
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
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[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
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate

Complexity:	88.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.04696745
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.04696745
Rotatable Bond Count:	2
Topological Polar Surface Area:	82
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4