2-Hydrazinobenzothiazole - ≥97% , CAS No.615-21-4

CAS: 615-21-4 Cat. No.: H137644 Peso molecular: 165.21 Número EC: 210-416-6

GRADE & PURITY ≥97%

Synonyms

WLN: T56 BN DSJ CMZ | STK394984 | Benzothiazol-2-yl-hydrazine | IDO1IN1 | IDO1-IN-1 | USAF EK-3967 | (2-BENZOTHIAZOLYL)HYDRAZINE | 2-hydrazinylbenzothiazole | H0177 | Z56756340 | (2E)-1,3-benzothiazol-2(3H)-one hydrazone | NCI60_002837 | SCHEMBL10595986 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

WLN: T56 BN DSJ CMZ | STK394984 | Benzothiazol-2-yl-hydrazine | IDO1IN1 | IDO1-IN-1 | USAF EK-3967 | (2-BENZOTHIAZOLYL)HYDRAZINE | 2-hydrazinylbenzothiazole | H0177 | Z56756340 | (2E)-1, 3-benzothiazol-2(3H)-one hydrazone | NCI60_002837 | SCHEMBL10595986 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504752231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752231
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C(S2)NN
• IUPAC Name: 1,3-benzothiazol-2-ylhydrazine
• InChIKey: JYSUYJCLUODSLN-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
• Isómeros SMILES: C1=CC=C2C(=C1)N=C(S2)NN
• WGK Alemania: 3
• RTECS: DL4725000
• Peso molecular: 165.21
• Reaxy-Rn: 5061
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5061&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

A498 (42825 Activities)

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K562 (73714 Activities)

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RPMI-8226 (44974 Activities)

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U-251 (51189 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in hot methanol almost transparent.
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 198-202°C
• Peso molecular: 165.220 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 165.036 Da
• Monoisotopic Mass: 165.036 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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

Referencias

1. Xin Zheng, Guanglei Li, Jingyi Zhang, Jie Zhang, Jian Yuan, Wenjing Yan, Peng Li, Changrui Xing.  (2024)  Utilization of Schiff base ligands to chelate Ag+ for highly specific and sensitive Hg2+/Ag+ immunoassay.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111898]

2. Ming Jiang, Xueyu Man, Moya Yang, Qiwei Yan, Haijuan Wu, Feng Yang, Youhuan Wei.  (2026)  Benzothiazole hydrazone Cu(II) complex for therapeutic anticancer enhancement via PARP-1 inhibition.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:] [10.1016/j.ijbiomac.2026.151573]