3-benzylthio-1H-1,2,4-triazole structure

3-benzylthio-1H-1,2,4-triazole

5-benzylsulfanyl-1H-1,2,4-triazole

Also Known As: 3-benzylthio-1H-1,2,4-triazole|TimTec1_005700|3-(benzylthio)-4H-1,2,4-triazole|5-benzylsulfanyl-1H-1,2,4-triazole|3-Benzylthio-1,2,4-triazole|5-benzylthio-1,2,4-triazole|benzylsulfanyl-1,2,4-triazole|OSM-S-66|3-(benzylthio)-1H-1,2,4-triazole|3-(BENZYLSULFANYL)-1H-1,2,4-TRIAZOLE|3-(benzylsulfanyl)-4H-1,2,4-triazole|3-Benzylthio-2H-1,2,4-triazole|3-Benzylsulfanyl-4H-[1,2,4]triazole|5-(benzylsulfanyl)-1H-1,2,4-triazole|3-benzylsulfanyl-4H-1,2,4-triazole|NR-0201|benzyl 1H-1,2,4-triazol-3-yl sulfide|1H-1,2,4-Triazole,5-[(phenylmethyl)thio]-|5-(benzylthio)-1H-[1,2,4]TRIAZOLE|5-(phenylmethylthio)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 3-[(phenylmethyl)thio]-|4H-1,2,4-Triazole, 3-[(phenylmethyl)thio]-|AN-668/37299002

CAS: 21239-87-2
Molecular Formula C9H9N3S
Molecular Weight 191.05171 g/mol
LogP 2.3
Topological Polar Surface Area 66.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 191.05171
Monoisotopic Mass 191.05171
Heavy Atoms 13
Complexity 148.0

Chemical Identifiers

CAS Number 21239-87-2
SMILES C1=CC=C(C=C1)CSC2=NC=NN2
InChIKey IQQYSQRJFHUASD-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (8 patents) Heterocyclic Building Blocks (27 patents) Organometallic Reagents (1 patents) Pharmaceutical Intermediates (12 patents) Photographic Chemicals (5 patents)

Product Overview

3-benzylthio-1H-1,2,4-triazole (CAS 21239-87-2), with molecular formula C9H9N3S and molecular weight 191.05171 g/mol. IUPAC: 5-benzylsulfanyl-1H-1,2,4-triazole.

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