5-Ethyl-4-methyl-4H-1,2,4-triazole-3-thiol - CAS 4418-57-9

Catalog:	BB047201
Product Name:	5-Ethyl-4-methyl-4H-1,2,4-triazole-3-thiol
CAS:	4418-57-9
Synonyms:	5-Ethyl-4-methyl-4H-[1,2,4]triazole-3-thiol; 5-ethyl-4-methyl-1,2,4-triazole-3-thiol; 4-Methyl-5-ethyl-4H-[1,2,4]triazole-3-thiol

Technical Data

Computed Properties

IUPAC Name:	3-ethyl-4-methyl-1H-1,2,4-triazole-5-thione
Description:	5-Ethyl-4-methyl-4H-1,2,4-triazole-3-thiol (CAS# 4418-57-9 ) is a useful research chemical.
Molecular Weight:	143.21
Molecular Formula:	C5H9N3S
Canonical SMILES:	CCC1=NNC(=S)N1C
InChI:	InChI=1S/C5H9N3S/c1-3-4-6-7-5(9)8(4)2/h3H2,1-2H3,(H,7,9)
InChI Key:	FNWNVPUZNJSFKL-UHFFFAOYSA-N
Boiling Point:	173 °C at 760 mmHg
Purity:	95 %
Density:	1.28 g/cm³
Appearance:	Solid

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[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
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[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

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.05171847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.05171847
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4