Tebuthiuron Standard - 1000ug/ml in Acetone , CAS No.34014-18-1

CAS: 34014-18-1 Cat. No.: T128282 Summenformel: C₉H₁₆N₄OS Molekulargewicht: 228.31 Beilstein Registry Number: 527479 EG-Nummer: 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

Room temperature

Shipped In

Normal

Übersicht

Pesticides Single Component Standards

Specifications

Synonyme

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,

Spezifikationen & Reinheit

1000ug/ml in Acetone

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Pubchem Sid: 528773190
• Kanonisches Lächeln: 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)
• Isomere SMILES: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
• WGK Deutschland: 3
• RTECS: YS4250000
• PubChem CID: 5383
• UN-Nummer: 3077
• Verpackungsgruppe: III
• Molekulargewicht: 228.31
• Beilstein: 527479

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiadiazoles
        • Ebene5 Aminothiadiazoles
          • Ebene6 2-amino-1,3,4-thiadiazoles
            • Ebene7 1,3,4-thiadiazol-2-ylureas

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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