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

CAS: 872-35-5 Cat. No.: M134875 Molecular Weight: 100.14 Beilstein Registry Number: 105775 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760406
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CNC(=S)N1
• WGK Germany: 3
• RTECS: NI8515000
• Molecular Weight: 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
    • Class Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: methanol: soluble 50 mg/mL, clear to slightly hazy, colorless to yellow
• Melt Point(°C): 228-231 °C
• Molecular Weight: 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

References

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