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

CAS: 615-21-4 Cat. No.: H137644 Molecular Weight: 165.21 EC Number: 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

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 |

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752231
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(S2)NN
• WGK Germany: 3
• RTECS: DL4725000
• Molecular Weight: 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
    • 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)

A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-N (28205 Activities)

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Malme-3M (44254 Activities)

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MDA-MB-231 (73002 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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NCI-H23 (49055 Activities)

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Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in hot methanol almost transparent.
• Sensitivity: Air Sensitive
• Melt Point(°C): 198-202°C
• Molecular Weight: 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

References

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]