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3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine

3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine - CAS 449746-06-9

Catalog:	BB042707
Product Name:	3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine
CAS:	449746-06-9
Synonyms:	3-propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine; 5-propyl-3-propylthio-1,2,4-triazole-4-ylamine

Technical Data

Computed Properties

IUPAC Name:	3-propyl-5-propylsulfanyl-1,2,4-triazol-4-amine
Description:	3-Propyl-5-(propylsulfanyl)-4H-1,2,4-triazol-4-amine (CAS# 449746-06-9 ) is a useful research chemical.
Molecular Weight:	200.31
Molecular Formula:	C8H16N4S
Canonical SMILES:	CCCC1=NN=C(N1N)SCCC
InChI:	InChI=1S/C8H16N4S/c1-3-5-7-10-11-8(12(7)9)13-6-4-2/h3-6,9H2,1-2H3
InChI Key:	OUIFMSOQDQJLCY-UHFFFAOYSA-N

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[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
[52147-97-4]
trans-β-Styrenesulfonyl chloride

Triazole/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
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[146-68-9]
Iodonitrotetrazolium chloride
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.1095677
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.1095677
Rotatable Bond Count:	5
Topological Polar Surface Area:	82
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1