Oryzaemate - analytical standard , CAS No.27605-76-1

CAS: 27605-76-1 Cat. No.: O115079 Formule: C₁₀H₉NO₃S Poids moléculaire: 223.25

GRADE & PURITY Analytical standard

Synonyms

C18483 | (s)-(+)-3-pyrrolidinol hydrochloride | 1,2-Benzisothiazole, 3-(allyloxy)-, 1,1-dioxide | PROBENAZOL | P2802 | 3-(2-propen-1-yloxy)-1,2-benzisothiazole 1,1-dioxide | Oryzaemate | Q11336142 | 3-(Allyloxy)-1,2-benzisothiazole 1,1-dioxide | 3-allylox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

C18483 | (s)-(+)-3-pyrrolidinol hydrochloride | 1,2-Benzisothiazole, 3-(allyloxy)-, 1,1-dioxide | PROBENAZOL | P2802 | 3-(2-propen-1-yloxy)-1,2-benzisothiazole 1,1-dioxide | Oryzaemate | Q11336142 | 3-(Allyloxy)-1,2-benzisothiazole 1,1-dioxide | 3-allylox

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528773143
• Sourires canoniques: C=CCOC1=NS(=O)(=O)C2=CC=CC=C21
• IUPAC Name: 3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
• InChIKey: WHHIPMZEDGBUCC-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2
• Isomères SMILES: C=CCOC1=NS(=O)(=O)C2=CC=CC=C21
• Poids moléculaire: 223.25
• Reaxy-Rn: 1214464
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1214464&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Organosulfonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2-benzothiazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Pesticides

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 223.250 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.03 Da
• Monoisotopic Mass: 223.03 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 380.000
• 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