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4-Amino-5-ethyl-4H-1,2,4-triazole-3-thiol

4-Amino-5-ethyl-4H-1,2,4-triazole-3-thiol - CAS 20939-16-6

Catalog:	BB050605
Product Name:	4-Amino-5-ethyl-4H-1,2,4-triazole-3-thiol
CAS:	20939-16-6
Synonyms:	4-Amino-5-ethyl-4H-[1,2,4]triazole-3-thiol; 4-amino-5-ethyl-1,2,4-triazole-3-thiol

Technical Data

Computed Properties

IUPAC Name:	4-amino-3-ethyl-1H-1,2,4-triazole-5-thione
Description:	4-Amino-5-ethyl-4H-1,2,4-triazole-3-thiol (CAS# 20939-16-6 ) is a useful research chemical.
Molecular Weight:	144.2
Molecular Formula:	C4H8N4S
Canonical SMILES:	CCC1=NNC(=S)N1N
InChI:	InChI=1S/C4H8N4S/c1-2-3-6-7-4(9)8(3)5/h2,5H2,1H3,(H,7,9)
InChI Key:	NHJQUZUFQOQBNE-UHFFFAOYSA-N
Boiling Point:	213.7±23.0 °C (Predicted)
Melting Point:	144 °C
Purity:	95 %
Density:	1.55±0.1 g/cm³(Predicted)

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
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[1106917-71-8]
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[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Triazole/Tetrazole

[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid
[438218-34-9]
[3-(5-Methyl-tetrazol-2-yl)-adamantan-1-yl]-acetic acid
[438221-39-7]
[3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantyl]acetic acid
[832738-11-1]
2-{[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Complexity:	164
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:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	144.04696745
Rotatable Bond Count:	1
Topological Polar Surface Area:	85.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3