WL-149027 - ≥98% , CAS No.23711-34-4

CAS: 23711-34-4 Cat. No.: W417965 Fórmula: C₁₄H₁₀ClN₃S Peso molecular: 287.77 Número EC: 122-778-1 PubChem CID: 726096

GRADE & PURITY ≥98%

Synonyms

3-(2-CHLOROPHENYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE | 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione | WL-149027 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-chlorophenyl)-4-phenyl- | 4-Phenyl 5-(2-chlorophenyl) 1,2,4-triazole-3-th

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

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

Specifications

Sinónimos

3-(2-CHLOROPHENYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE | 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione | WL-149027 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-chlorophenyl)-4-phenyl- | 4-Phenyl 5-(2-chlorophenyl) 1,2,4-triazole-3-th

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504760003

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760003

Sonrisas canónicas

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)

Isómeros SMILES

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

PubChem CID

726096

Peso molecular

287.77

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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