WL-149027 - 10mM in DMSO , CAS No.23711-34-4

CAS: 23711-34-4 Cat. No.: W422781 Formule: C₁₄H₁₀ClN₃S Poids moléculaire: 287.77 Numéro CE: 122-778-1 PubChem CID: 726096

GRADE & PURITY 10mM in DMSO

Synonyms

5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol|23711-34-4|3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione|3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione|3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-chlorophenyl)-4-phenyl-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

anticonvulsant, anti-inflammatory and antimicrobial agents; T-type calcium channel blockers.

Specifications

Synonymes

5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol | 23711-34-4 | 3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione | 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-chlorophenyl)-4-phenyl-

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3Cl

IUPAC Name

3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione

InChIKey

DXGQKQYLXHGLRJ-UHFFFAOYSA-N

INCHI

1S/C14H10ClN3S/c15-12-9-5-4-8-11(12)13-16-17-14(19)18(13)10-6-2-1-3-7-10/h1-9H,(H,17,19)

Isomères SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3Cl

PubChem CID

726096

Poids moléculaire

287.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Chlorobenzenes Aryl chlorides Triazolines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 287.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 287.028 Da
• Monoisotopic Mass: 287.028 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 379.000
• 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