Tebuthiuron standard - 1000ug/ml dans l'acétone , CAS No.34014-18-1

CAS: 34014-18-1 Cat. No.: T128282 Formule: C₉H₁₆N₄OS Poids moléculaire: 228.31 Beilstein Registry Number: 527479 Numéro CE: 251-793-7 PubChem CID: 5383

GRADE & PURITY 1000ug/ml in Acetone

Synonyms

Spectrum5_001958 | HSDB 6863 | N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff | N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-NN'-dimethylurea | NCGC00020997-05 | EL-103 | KBio2_002327 | N-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-N,

Storage

Température ambiante

Shipped In

Normal

Vue d’ensemble

Pesticides Normes pour un seul composant

Specifications

Synonymes

Spectrum5_001958 | HSDB 6863 | N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff | N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-NN'-dimethylurea | NCGC00020997-05 | EL-103 | KBio2_002327 | N-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-N,

Spécifications et pureté

1000ug/ml dans l'acétone

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Noms et identifiants

• Pubchem Sid: 528773190
• Sourires canoniques: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
• IUPAC Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
• InChIKey: HBPDKDSFLXWOAE-UHFFFAOYSA-N
• INCHI: 1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
• Isomères SMILES: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
• WGK Allemagne: 3
• RTECS: YS4250000
• PubChem CID: 5383
• Numéro ONU: 3077
• Groupe d'emballage: III
• Poids moléculaire: 228.31
• Beilstein: 527479

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiadiazoles
        • Level5 Aminothiadiazoles
          • Level6 2-amino-1,3,4-thiadiazoles
            • Level7 1,3,4-thiadiazol-2-ylureas

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles
• Direct Parent: 1,3,4-thiadiazol-2-ylureas
• Alternative Parents: Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,4-thiadiazol-2-ylurea - Heteroaromatic compound - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,4-thiadiazol-2-ylureas. These are aromatic compounds containing a 1,3,4-thiadiazole ring, which is substituted at the 2-position with urea.
• External Descriptors: Urea herbicides

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

• Poids moléculaire: 228.320 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.104 Da
• Monoisotopic Mass: 228.104 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 241.000
• 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