4-Methyl-2-Hydrazinobenzothiazole - ≥98% , CAS No.20174-68-9

CAS: 20174-68-9 Cat. No.: M302713 Molecular Weight: 179.24 EC Number: 243-562-4

GRADE & PURITY ≥98%

Synonyms

A814304 | 4-METHYL-2-HYDRAZINOBENZOTHIAZOLE | 4-Methyl-2-benzothiazolehydrazine | MUY0LQ5F7G | AKOS015907894 | W-107640 | 2(3H)-Benzothiazolone, 4-methyl-, hydrazone | F1908-0001 | STL497432 | BB 0246263 | 2-hydrazinyl-4-methyl-1,3-benzothiazole | 4-(4-Mo

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

A814304 | 4-METHYL-2-HYDRAZINOBENZOTHIAZOLE | 4-Methyl-2-benzothiazolehydrazine | MUY0LQ5F7G | AKOS015907894 | W-107640 | 2(3H)-Benzothiazolone, 4-methyl-, hydrazone | F1908-0001 | STL497432 | BB 0246263 | 2-hydrazinyl-4-methyl-1, 3-benzothiazole | 4-(4-Mo

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186493
• Canonical Smiles: CC1=C2C(=CC=C1)SC(=N2)NN
• IUPAC Name: (4-methyl-1,3-benzothiazol-2-yl)hydrazine
• InChIKey: DYWNRVWOUASMDT-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3S/c1-5-3-2-4-6-7(5)10-8(11-9)12-6/h2-4H,9H2,1H3,(H,10,11)
• Isomeric SMILES: CC1=C2C(=CC=C1)SC(=N2)NN
• Molecular Weight: 179.24
• Reaxy-Rn: 141483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141483&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Hydrazine derivative - 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: 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

Associated Targets(Human)

MT4 (17854 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Aspergillus niger (16508 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Phytophthora capsici (336 Activities)

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Candida albicans (78123 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Human immunodeficiency virus 2 (5592 Activities)

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Botrytis cinerea (4183 Activities)

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Alternaria alternata (757 Activities)

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Rhizoctonia solani (2251 Activities)

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Sclerotinia sclerotiorum (877 Activities)

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Fusarium graminearum (1554 Activities)

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Ustilaginoidea (18 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 179.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 179.052 Da
• Monoisotopic Mass: 179.052 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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

References

1. Qian Sun, Lu Ren, Jing Wang, Kun Bai, Chang Liu, Yanqi Liu, Dawei Zhang.  (2025)  Coumarin-based colorimetric fluorescent chemical sensors for highly selectively and accurately detect Cu2+ ions in water and living cells.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2025.122981]