Benzothiohydrazide - ≥95% , CAS No.20605-40-7

CAS: 20605-40-7 Cat. No.: B708658 Molecular Weight: 152.22 EC Number: 843-214-7 PubChem CID: 3361911

GRADE & PURITY ≥95%

Synonyms

Benzenecarbothiohydrazide | Benzenecarbothioic acid, hydrazide | benzothiohydrazide | N-aminobenzenecarbothioamide | 1-Benzenecarbothiohydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Benzothiohydrazide is an analog of the anti-tuberculosis active molecule Isoniazid, exhibiting anti-tuberculosis activity with MIC values of 132 μM and 264 μM against M. tuberculosis wild-type and clinical mutant strains (IC1 and IC2), respectively.

Specifications

Synonyms

Benzenecarbothiohydrazide | Benzenecarbothioic acid, hydrazide | benzothiohydrazide | N-aminobenzenecarbothioamide | 1-Benzenecarbothiohydrazide

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=S)NN
• IUPAC Name: benzenecarbothiohydrazide
• InChIKey: PNALOBAQBMAHBZ-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
• Isomeric SMILES: C1=CC=C(C=C1)C(=S)NN
• PubChem CID: 3361911
• Molecular Weight: 152.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thioamides Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Thioamide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 152.220 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.041 Da
• Monoisotopic Mass: 152.041 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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