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WAY-224289 - 10mM in DMSO, high purity , CAS No.126651-85-2
Basic Description
Synonyms
126651-85-2 | 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | 5-(3-Bromo-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione | 5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione | 3-(3-Bromophenyl)-1H-1,2,4-triazole-5(4H)-thione | CHEMBL1334768 | 5-(3-bromophe
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Tyrosinase Inhibitor; Tyrosinase Inhibitor;
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Bromobenzenes Aryl bromides Triazolines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
INCHI
InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey
ALETZOQAGIEADS-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)Br)C2=NC(=S)NN2
Isomeric SMILES
C1=CC(=CC(=C1)Br)C2=NC(=S)NN2
PubChem CID
676286
Molecular Weight
256.13
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.120 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
254.947 Da
Monoisotopic Mass
254.947 Da
Topological Polar Surface Area
68.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
254.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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