1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- structure

1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-

4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole

Also Known As: 4-methyl-3-(methylthio)-5-phenyl-4h-1,2,4-triazole|Maybridge3_007348|Boc-D-2-nitrophenylalanine|BAS 02170817|4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole|IDI1_018735|1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-|5-26-03-00266 (Beilstein Handbook Reference)|4-Methyl-3-(methylthio)-5-phenyl-1H-1,2,4-triazole|4-methyl-3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazole|4-methyl-3-methylthio-5-phenyl-1,2,4-triazole|4H-1,2,4-Triazole,4-methyl-3-(methylthio)-5-phenyl-|4-Methyl-3-methylsulfanyl-5-phenyl-4H-[1,2,4]triazole|4-Methyl-3-phenyl-5-methylthio-4H-1,2,4-triazole|SR-01000616175-2|4-METHYL-3- -5-PHENYL-4H-1,2,4-TRIAZOLE|BRD-K04502413-001-07-2|3-(Methylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole|4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-

CAS: 56501-80-5
Molecular Formula C10H11N3S
Molecular Weight 205.06737 g/mol
LogP 1.9
Topological Polar Surface Area 56.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 205.06737
Monoisotopic Mass 205.06737
Heavy Atoms 14
Complexity 182.0

Chemical Identifiers

CAS Number 56501-80-5
SMILES CN1C(=NN=C1SC)C2=CC=CC=C2
InChIKey YQMPWJBMMZNZRK-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (2 patents) Pharmaceutical Intermediates (4 patents)

Product Overview

1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- (CAS 56501-80-5), with molecular formula C10H11N3S and molecular weight 205.06737 g/mol. IUPAC: 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole.

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