Thidiazuron - analytical standard , CAS No.51707-55-2

CAS: 51707-55-2 Cat. No.: T100900 Formule: C₉H₈N₄OS Poids moléculaire: 220.25 Beilstein Registry Number: 1078092 Numéro CE: 257-356-7 PubChem CID: 40087

GRADE & PURITY Analytical standard

Synonyms

5-Phenylcarbamoylamino-1,2,3-thiadiazole | C18812 | Caswell No. 659A | EPA Pesticide Chemical Code 120301 | HSDB 7734 | NCGC00160490-01 | AKOS000505963 | BRN 1078092 | Thidiazuran | Thidiazuron, PESTANAL(R), analytical standard | (phenylamino)-N-(1,2,3-th

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Thidiazuron (TDZ) is a plant growth regulator used in micropropagations to supplement media such as Murashige and Skoog medium. TDZ promotes plant organogenesis (shoot regeneration) and plant regeneration. Thidiazuron (TDZ) enables the production of virus-free stock plants, speeds up breeding, and provides new genotypes for the market.

Specifications

Synonymes

5-Phenylcarbamoylamino-1,2,3-thiadiazole | C18812 | Caswell No. 659A | EPA Pesticide Chemical Code 120301 | HSDB 7734 | NCGC00160490-01 | AKOS000505963 | BRN 1078092 | Thidiazuran | Thidiazuron, PESTANAL(R), analytical standard | (phenylamino)-N-(1,2,3-th

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard

Noms et identifiants

Pubchem Sid

508812995

Sourires canoniques

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

IUPAC Name

1-phenyl-3-(thiadiazol-5-yl)urea

InChIKey

HFCYZXMHUIHAQI-UHFFFAOYSA-N

INCHI

1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)

Isomères SMILES

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

WGK Allemagne

3

RTECS

YU1395000

PubChem CID

40087

Poids moléculaire

220.25

Beilstein

1078092

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Thiadiazoles Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Azole - Thiadiazole - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: a small molecule

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 213°C
• Poids moléculaire: 220.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.042 Da
• Monoisotopic Mass: 220.042 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• 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