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5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol

5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol - CAS 1018053-32-1

Catalog:	BB048038
Product Name:	5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol
CAS:	1018053-32-1
Synonyms:	5-methyl-4-(propylamino)-1,2,4-triazole-3-thiol; 4H-1,2,4-triazole-3-thiol, 5-methyl-4-(propylamino)-

Technical Data

Computed Properties

IUPAC Name:	3-methyl-4-(propylamino)-1H-1,2,4-triazole-5-thione
Description:	5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol (CAS# 1018053-32-1 ) is a useful research chemical.
Molecular Weight:	172.25
Molecular Formula:	C6H12N4S
Canonical SMILES:	CCCNN1C(=NNC1=S)C
InChI:	InChI=1S/C6H12N4S/c1-3-4-7-10-5(2)8-9-6(10)11/h7H,3-4H2,1-2H3,(H,9,11)
InChI Key:	DBBFZDQQJDWSKD-UHFFFAOYSA-N
Boiling Point:	308.2±25.0 °C at 760 mmHg
Purity:	97 %
Density:	1.3±0.1 g/cm³

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[7492-88-8]
3-piperidinecarbonitrile

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1879-16-9]
4-Methoxythioanisole

Triazole/Tetrazole

[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[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
[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

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.07826757
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.07826757
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6