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3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine - CAS 217788-67-5

Catalog:	BB048036
Product Name:	3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CAS:	217788-67-5
Synonyms:	1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine, 3-propyl-

Technical Data

Computed Properties

IUPAC Name:	3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
Description:	3-Propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CAS# 217788-67-5 ) is a useful research chemical.
Molecular Weight:	183.24
Molecular Formula:	C6H9N5S
Canonical SMILES:	CCCC1=NN=C2N1N=C(S2)N
InChI:	InChI=1S/C6H9N5S/c1-2-3-4-8-9-6-11(4)10-5(7)12-6/h2-3H2,1H3,(H2,7,10)
InChI Key:	XLEQTKKISZEHBF-UHFFFAOYSA-N
Density:	1.7±0.1 g/cm³

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Oxadiazole/Thiadiazole

[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
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Sulfur Compounds

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3-(Trifluoromethylthio)phenyl isothiocyanate
[1778-09-2]
4'-(Methylthio)acetophenone

Triazole/Tetrazole

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.05786648
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.05786648
Rotatable Bond Count:	2
Topological Polar Surface Area:	97.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1