3-(Methylthio)-4H-1,2,4-triazol-4-amine - CAS 65901-91-9

Catalog:	BB046519
Product Name:	3-(Methylthio)-4H-1,2,4-triazol-4-amine
CAS:	65901-91-9
Synonyms:	3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-methylthio-1,2,4-triazole-4-ylamine

Technical Data

Computed Properties

IUPAC Name:	3-methylsulfanyl-1,2,4-triazol-4-amine
Description:	3-(Methylthio)-4H-1,2,4-triazol-4-amine (CAS# 65901-91-9 ) is a useful research chemical.
Molecular Weight:	130.17
Molecular Formula:	C3H6N4S
Canonical SMILES:	CSC1=NN=CN1N
InChI:	InChI=1S/C3H6N4S/c1-8-3-6-5-2-7(3)4/h2H,4H2,1H3
InChI Key:	ADOZKMJJGVRACC-UHFFFAOYSA-N
Boiling Point:	337.2±25.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Amines and Anilines

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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[438616-66-1]
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[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1823917-84-5]
2-Ethyl-4-(methylsulfonyl)aniline
[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[21124-33-4]
Ammonium diethyldithiocarbamate
[23928-04-3]
N-(2,4-Dinitrophenyl) taurine sodium salt
[6315-52-2]
Ethylene di(p-toluenesulfonate)

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[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
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.03131738
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.03131738
Rotatable Bond Count:	1
Topological Polar Surface Area:	82
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0