3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid structure

3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid

3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Also Known As: CBKinase1_011866|CBKinase1_024266|3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid|SR-01000300903-1|BRD-K83493344-001-01-5|F1743-0014|3-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)propanoic acid|3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid|3-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid|3-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid

CAS: 690249-41-3
Molecular Formula C16H14N4O2S
Molecular Weight 326.08374 g/mol
LogP 2.8961
Topological Polar Surface Area 80.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 326.08374
Monoisotopic Mass 326.08374
Heavy Atoms 23
Complexity 790.3546

Chemical Identifiers

CAS Number 690249-41-3
SMILES C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CC=NC=C3

Product Overview

3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid (CAS 690249-41-3), with molecular formula C16H14N4O2S and molecular weight 326.08374 g/mol. IUPAC: 3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid.

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3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.

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