Gloxazone - ≥99% , CAS No.2507-91-7

CAS: 2507-91-7 Cat. No.: G1280888 Molecular Weight: 276.4 EC Number: 219-715-6

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCOC(C)C(=NNC(=S)N)C=NNC(=S)N
• IUPAC Name: [[1-(carbamothioylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]thiourea
• InChIKey: ARIFZLJIERKKEL-UHFFFAOYSA-N
• INCHI: 1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)
• Molecular Weight: 276.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives
        • Level5 Thiosemicarbazides
          • Level6 Thiosemicarbazones

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Thiosemicarbazides
• Direct Parent: Thiosemicarbazones
• Alternative Parents: Dialkyl ethers Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiosemicarbazone - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiosemicarbazones. These are compounds containing the thiosemicarbazone functional group obtained by replacing the carbonyl group by a thiocarbonyl 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

Chemical and Physical Properties

• Molecular Weight: 276.400 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 276.083 Da
• Monoisotopic Mass: 276.083 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 2
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1