2-Mercaptoimidazole - ≥98% , CAS No.872-35-5

CAS: 872-35-5 Cat. No.: M134875 Peso molecular: 100.14 Beilstein Registry Number: 105775 Número EC: 212-823-4

GRADE & PURITY ≥98%

Synonyms

2-Mercaptoimidazole, 98% | UNII-FD37BLD6L2 | STL476661 | 1,3-dihydroimidazole-2-thione | 2,3-dihydro-1h-imidazol-2-thione | 2-Mercapto-1H-imidazole | Imidazole, 2-mercapto- | 1,3-Dihydro-2H-imidazole-2-thione | 2-Sulphanyl-1H-imidazole | NSC112715 | NSC-1

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

2-Mercaptoimidazole has been used in chemical modification of silica gel for selective separation of mercury(II) from an aqueous solution

Product Description:

The kinetics of inhibition on mushroom tyrosinase by 2-mercaptoimidazole has been investigated. The pH dependent surface-enhanced Raman scattering (SERS) spectra of biologically and industrially significant, 2-mercaptoimidazole molecule at 1.0×10-10M concentration have been investigated.

Specifications

Sinónimos

2-Mercaptoimidazole, 98% | UNII-FD37BLD6L2 | STL476661 | 1, 3-dihydroimidazole-2-thione | 2, 3-dihydro-1h-imidazol-2-thione | 2-Mercapto-1H-imidazole | Imidazole, 2-mercapto- | 1, 3-Dihydro-2H-imidazole-2-thione | 2-Sulphanyl-1H-imidazole | NSC112715 | NSC-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760406
• Sonrisas canónicas: C1=CNC(=S)N1
• IUPAC Name: 1,3-dihydroimidazole-2-thione
• InChIKey: OXFSTTJBVAAALW-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
• Isómeros SMILES: C1=CNC(=S)N1
• WGK Alemania: 3
• RTECS: NI8515000
• Peso molecular: 100.14
• Beilstein: 105775
• Reaxy-Rn: 105775
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105775&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Imidazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolethiones
• Alternative Parents: Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolethiones. These are aromatic compounds containing an imidazole ring which bears a thioketone group.
• 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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: methanol: soluble 50 mg/mL, clear to slightly hazy, colorless to yellow
• Punto de fusión (°C): 228-231 °C
• Peso molecular: 100.140 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.01 Da
• Monoisotopic Mass: 100.01 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 87.000
• 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. Wenshuai Hao, Ruitao Cha, Mingzheng Wang, Juanjuan Li, Hongbo Guo, Ran Du, Fengshan Zhou, Xingyu Jiang.  (2023)  Ligand-Modified Gold Nanoparticles as Mitochondrial Modulators: Regulation of Intestinal Barrier and Therapy for Constipation.  ACS Nano,      [PMID:37449942] [10.1021/acsnano.3c01656]

2. Xiaoxia Feng, Pengxiao Xu, Jinli Liu, Xiyue Zhao, Jing Cao, Jiacheng Liu.  (2022)  Stable Core–Shell Structure Nanocrystals of Cs4PbBr6-Zn(moi)2 Achieved by an In Situ Surface Reconstruction Strategy for Optical Anticounterfeiting.  INORGANIC CHEMISTRY,      [PMID:36272156] [10.1021/acs.inorgchem.2c02632]

3. Hongming Hou, Taotao Hu, Fu Zhang, Rui Liu, Jialong He, Chang Liu, Yue Yu, Dong Chen, Qiaofeng Wu, Meng Zhang, Hua Yu.  (2021)  Small molecule interfacial cross-linker for highly efficient two-dimensional perovskite solar cells.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2021.10.026]

4. Xiaolei Zhao, Yu He, Yanan Wang, Shuo Wang, Junping Wang.  (2019)  Hollow molecularly imprinted polymer based quartz crystal microbalance sensor for rapid detection of methimazole in food samples.  FOOD CHEMISTRY,      [PMID:31771917] [10.1016/j.foodchem.2019.125787]

5. Yan Liu, Tian Zhao, Shuzhen Li, Yichuan Cao, Guozhen Fang.  (2024)  A Molecularly Imprinted Fluorescence Sensor Based on Upconversion-Nanoparticle-Grafted Covalent Organic Frameworks for Specific Detection of Methimazole.  Processes,  12  (3): (626).  [PMID:] [10.3390/pr12030626]

6. Tang Xu, Wenshuai Hao, Ran Du, Dai Dai, Cuixia Wang, Suhua Li, Carol Sze Ki Lin, Ruitao Cha, Jianbin Yan, Chong Li.  (2024)  Mercaptoimidazole-capped gold nanoparticles as a potent agent against plant pathogenic fungi.  Journal of Materials Chemistry B,      [PMID:39344784] [10.1039/D4TB01032A]

7. Ma Haibo, Ru Changhai, Zhang Fanghao, Hoettges Kai, Zhu Junhui, Song Pengfei.  (2025)  Core–shell ZIF-8@Au labels for high-sensitivity lateral flow assays via thiol-functionalization and seed-mediated growth.  MICROCHIMICA ACTA,  192  (12): (847).  [PMID:41286372] [10.1007/s00604-025-07615-x]

8. Qing Cheng, Yuqi Zhang, Yingying Cao, Long Liu, Yanqiang Zhang.  (2026)  Manipulating d-Band Center of Cu(I)-MOFs for Catalytic Ignition of [BMIM]N(CN) 2 IL-H 2 O 2 Propellants.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA09529H]