3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate - AR, ≥98% , CAS No.38894-11-0

CAS: 38894-11-0 Cat. No.: M109065 Molecular Weight: 233.72 Beilstein Registry Number: 4722243 EC Number: 684-573-8

GRADE & PURITY AR, ≥98%

Synonyms

MBTH hydrochloride | Sawicki's Reagent | 2-Hydrazono-3-methylbenzothiazoline hydrochloride

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

May contain free HCl. Reagent for the spectrophotometric determination of aliphatic aldehydes. Reagent for the determination of hexosamines in glycosaminoglycans. Reagent for the spectrophotometric determination of traces of selenium (IV) in environmental samples. Incorporated into a new peroxidase color reaction.

Specifications

Synonyms

MBTH hydrochloride | Sawicki's Reagent | 2-Hydrazono-3-methylbenzothiazoline hydrochloride

Specifications & Purity

AR, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

AR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195719
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195719
• Canonical Smiles: CN1C2=CC=CC=C2SC1=NN.O.Cl
• IUPAC Name: (Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrate;hydrochloride
• InChIKey: IYXXQOGEFHAQGU-GPWRMYTLSA-N
• INCHI: 1S/C8H9N3S.ClH.H2O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;;/h2-5H,9H2,1H3;1H;1H2/b10-8-
• Isomeric SMILES: CN\1C2=CC=CC=C2S/C1=N\N.O.Cl
• WGK Germany: 3
• RTECS: DL7160200
• Alternate CAS: 149022-15-1；4338-98-1
• UN Number: 2811
• Molecular Weight: 233.72
• Beilstein: 4722243
• Reaxy-Rn: 34801365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34801365&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 Hydrazones Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic ; Light Sensitive
• Melt Point(°C): 270-274°C
• Molecular Weight: 233.720 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 233.039 Da
• Monoisotopic Mass: 233.039 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Yuting Qian, Wenrou Tian, Jun Han, Najun Li, Dongyun Chen, Qingfeng Xu, Hua Li, Jianmei Lu.  (2023)  Bismuth vacancies-enriched Bi4Ti3O12 nanosheets coated with UiO-66-NH2 for adsorption-combined piezocatalytic oxidation of HCHO.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.124379]

2. Huasheng Lai, Zhengyi Chen, Gongke Li, Zhuomin Zhang.  (2022)  All-in-One Preparation Strategy Integrated in a Miniaturized Device for Fast Analyses of Biomarkers in Biofluids by Surface Enhanced Raman Scattering.  ANALYTICAL CHEMISTRY,      [PMID:36383354] [10.1021/acs.analchem.2c03504]

3. Kai Li, Zitang Xu, Xiaoxiao Liu, Yaojia He, Xiaoke Tian, Xiaoling Xu, Guangxu Bo, Sheng Yuan, Li Xu, Min Yang, Jinyong Yan, Houjin Zhang, Yunjun Yan.  (2022)  Mussel foot inspired bionic adhesive material enhanced by a reconstructed in vitro system for interfacial adhesion.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139580]

4. Kun Ge, Yuling Hu, Yanjie Zheng, Peichun Jiang, Gongke Li.  (2021)  Aptamer/derivatization-based surface-enhanced Raman scattering membrane assembly for selective analysis of melamine and formaldehyde in migration of melamine kitchenware.  TALANTA,      [PMID:34517611] [10.1016/j.talanta.2021.122743]

5. Zhengyi Chen, Gongke Li, Zhuomin Zhang.  (2017)  Miniaturized Thermal-Assisted Purge-and-Trap Technique Coupling with Surface-Enhanced Raman Scattering for Trace Analysis of Complex Samples.  ANALYTICAL CHEMISTRY,      [PMID:28793761] [10.1021/acs.analchem.7b02912]

6. Xueming Bao, Zirong Li, Dongyu Zhu, Bo Xu, Man Zhou, Yuanyuan Yu, Qiang Wang, Ping Wang.  (2025)  Sliver-doped manganese oxide hollow nanospheres as dual-functional textile coatings for antibacterial and formaldehyde elimination.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40010092] [10.1016/j.jcis.2025.02.166]

7. Jialin Li, Shaowei Liu, Amil Aligayev, Hao Jiang, Muhammad, Shenhao Wang, Xin Yu, Jin Tao, Jiaqi Wang, Agnieszka Jastrzębska, Qing Huang.  (2025)  Dual-mode SERS and colorimetric sensor for lung cancer VOC-biomarker detection using hydrogel patches.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168343]

8. Chen Shen, Wenqing Chen, Changzhu Li, Haiying Cui, Lin Lin.  (2023)  The effects of cold plasma (CP) treatment on the inactivation of yam peroxidase and characteristics of yam slices.  JOURNAL OF FOOD ENGINEERING,      [PMID:] [10.1016/j.jfoodeng.2023.111693]

9. Zhengyi Chen, Gongke Li, Zhuomin Zhang.  (2019)  Miniaturized array gas membrane separation strategy for rapid analysis of complex samples by surface-enhanced Raman scattering.  ANALYTICA CHIMICA ACTA,      [PMID:31005148] [10.1016/j.aca.2019.03.031]

10. Chenbing Xi, Minyi Luo, Yong Zhang, Zhengyi Chen.  (2025)  Adjuvant Tracer Strategy Combined with a Portable Steam Penetration Gas Membrane Separation Device for Peroxynitrite Detection.  ANALYTICAL CHEMISTRY,      [PMID:41229072] [10.1021/acs.analchem.5c04503]