2-Mercaptobenzimidazol - ≥98% , CAS No.583-39-1

CAS: 583-39-1 Cat. No.: M111104 Fórmula: C₇H₆N₂S Peso molecular: 150.2 Beilstein Registry Number: 119867 Número EC: 209-502-6

GRADE & PURITY ≥98%

Synonyms

1,3-Dihydro-2H-benzo[d]imidazole-2-thione | BBL023512 | Benzimidazolethiol | 2-Benzimidazolethiol | NCGC00091164-01 | NCGC00091164-02 | USAF XF-21 | 2-MERCAPTOBENZOIMIDAZOLE | 2-Benzimidazolethiol; Benzimidazole-2-thiol | 2-mercaptobenzimidazol | A930054

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

el 2-mercaptobenzimidazol es un antidegradante que protege el caucho de la oxidación. También es un intermediario en la síntesis del rabeprazol.
Un antidegradante.

Specifications

Sinónimos

1,3-Dihydro-2H-benzo[d]imidazole-2-thione | BBL023512 | Benzimidazolethiol | 2-Benzimidazolethiol | NCGC00091164-01 | NCGC00091164-02 | USAF XF-21 | 2-MERCAPTOBENZOIMIDAZOLE | 2-Benzimidazolethiol; Benzimidazole-2-thiol | 2-mercaptobenzimidazol | A930054

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C,cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504759951

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759951

Sonrisas canónicas

C1=CC=C2C(=C1)NC(=S)N2

IUPAC Name

1,3-dihydrobenzimidazole-2-thione

InChIKey

YHMYGUUIMTVXNW-UHFFFAOYSA-N

INCHI

1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)

Isómeros SMILES

C1=CC=C2C(=C1)NC(=S)N2

WGK Alemania

2

RTECS

DE1050000

Número ONU

2811

Grupo de embalaje

I

Peso molecular

150.2

Beilstein

119867

Reaxy-Rn

119867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Imidazolethiones Benzenoids Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HEK293 (82097 Activities)

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Lymphoblastoid cell (5959 Activities)

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QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

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PSMB5 Tclin Proteasome Macropain subunit MB1 (2451 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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DAO Tchem D-amino-acid oxidase (802 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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PSMB8 Tclin Proteasome subunit beta type-8 (743 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

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Entamoeba histolytica (2676 Activities)

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Giardia intestinalis (1290 Activities)

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Trichinella spiralis (212 Activities)

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J774.A1 (2436 Activities)

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Bacillus anthracis (2936 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in hot Methanol almost transparency
• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 451 °C
• Punto de fusión (°C): 300-304°C
• Peso molecular: 150.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.025 Da
• Monoisotopic Mass: 150.025 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 10
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 583-39-1, the molecular formula is C7H6N2S, and the molecular weight is 150.2 g/mol. InChIKey YHMYGUUIMTVXNW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.