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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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[874-87-3]
4-(Methylthio)benzyl chloride

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[146-68-9]
Iodonitrotetrazolium chloride

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