2-(Methylthio)nicotinic acid hydrazide - ≥95% , CAS No.232926-33-9

CAS: 232926-33-9 Cat. No.: M1359633 Formule: C₇H₉N₃OS Poids moléculaire: 183.23 Numéro CE: 674-101-9 PubChem CID: 2760081

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Spécifications et pureté

≥95%

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.

Pureté

≥95%

Product Line

M1359633-50mg

Noms et identifiants

Sourires canoniques

CSC1=C(C=CC=N1)C(=O)NN

IUPAC Name

2-methylsulfanylpyridine-3-carbohydrazide

InChIKey

CYHNGINJLSMDNU-UHFFFAOYSA-N

INCHI

1S/C7H9N3OS/c1-12-7-5(6(11)10-8)3-2-4-9-7/h2-4H,8H2,1H3,(H,10,11)

Isomères SMILES

CSC1=C(C=CC=N1)C(=O)NN

PubChem CID

2760081

Poids moléculaire

183.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Alkylarylthioethers Vinylogous thioesters Heteroaromatic compounds Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Aryl thioether - Alkylarylthioether - Vinylogous thioester - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Thioether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 183.230 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.047 Da
• Monoisotopic Mass: 183.047 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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