WL-149027 - ≥98% , CAS No.23711-34-4

CAS: 23711-34-4 Cat. No.: W417965 Formula: C₁₄H₁₀ClN₃S Peso molecolare: 287.77 Numero 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504760003
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760003
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3Cl
• PubChem CID: 726096
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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