4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol - CAS 937598-28-2

Name: 4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB048935
Product Name:	4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS:	937598-28-2
Synonyms:	4H-1,2,4-triazole-3-thiol, 4-butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-; 4-butyl-5-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-triazole-3-thiol; 4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Technical Data

Computed Properties

IUPAC Name:	4-butyl-3-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1H-1,2,4-triazole-5-thione
Description:	4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS# 937598-28-2 ) is a useful research chemical.
Molecular Weight:	342.46
Molecular Formula:	C17H22N6S
Canonical SMILES:	CCCCN1C(=NNC1=S)C2=CC(=NC3=C2C(=NN3C)C)C4CC4
InChI:	InChI=1S/C17H22N6S/c1-4-5-8-23-15(19-20-17(23)24)12-9-13(11-6-7-11)18-16-14(12)10(2)21-22(16)3/h9,11H,4-8H2,1-3H3,(H,20,24)
InChI Key:	MXKYIAUSMVWXKV-UHFFFAOYSA-N
Boiling Point:	572.4±60.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

Complexity:	533
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	342.1626659
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	342.1626659
Rotatable Bond Count:	5
Topological Polar Surface Area:	90.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8

4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol - CAS 937598-28-2

Technical Data

Computed Properties

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