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

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

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[72799-34-9]
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[2039-96-5]
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[832739-83-0]
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[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

Triazole/Tetrazole

[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[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
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate

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