2-Aminobenzothiazole - ≥97% , CAS No.136-95-8

CAS: 136-95-8 Cat. No.: A110691 Fórmula: C₇H₆N₂S Peso molecular: 150.2 Beilstein Registry Number: 116315 Número EC: 205-268-4

CALIDAD & PUREZA ≥97%

Synonyms

STL186134 | 1,3-benzothiazol-2(3H)-imine | 2-AMINOBENZOTHIAZOLE [MI] | CHEBI:167751 | DTXSID1024467 | STR00404 | USAF XR-27 | SCHEMBL75245 | SMR001370883 | 08K5TLY3EQ | 2-Benzothiazolylamine | benzothiazolyl-amine | HY-W017424 | NCGC00091895-02 | 2-Amino-

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Aminobenzothiazole is a neutral carrier (ionophore) used to construct a poly (vinyl chloride)-based membrane electrode for determination of Ce3+ ions. 2-Aminobenzothiazole bonds chemically to multiwalled carbon nanotubes to produce a sorbent which has been used for separation of Pb(II) from aqueous samples

Especificaciones

Sinónimos

STL186134 | 1,3-benzothiazol-2(3H)-imine | 2-AMINOBENZOTHIAZOLE [MI] | CHEBI:167751 | DTXSID1024467 | STR00404 | USAF XR-27 | SCHEMBL75245 | SMR001370883 | 08K5TLY3EQ | 2-Benzothiazolylamine | benzothiazolyl-amine | HY-W017424 | NCGC00091895-02 | 2-Amino-

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

2-Aminobenzothiazole has local anaesthetic action and has numerous applications in human and veterinary medicine

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488180865

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180865

Sonrisas canónicas

C1=CC=C2C(=C1)N=C(S2)N

IUPAC Name

1,3-benzothiazol-2-amine

InChIKey

UHGULLIUJBCTEF-UHFFFAOYSA-N

INCHI

1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

Isómeros SMILES

C1=CC=C2C(=C1)N=C(S2)N

WGK Alemania

2

RTECS

DL1050000

Número ONU

2811

Grupo de embalaje

I

Peso molecular

150.2

Beilstein

116315

Reaxy-Rn

116315

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

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PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)

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MCF7 (126967 Activities)

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Lymphoblastoid cell (5959 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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

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NCF1 Tbio Neutrophil cytosol factor 1 (245 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Objetivos asociados (no humanos)

AOC3 Amine oxidase, copper containing (44 Activities)

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Tec Tyrosine-protein kinase TEC (25 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium kansasii (6484 Activities)

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Enterococcus faecalis (29875 Activities)

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Pichia kudriavzevii (7448 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Candida tropicalis (8381 Activities)

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Rattus norvegicus (775804 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Trichosporon asahii (679 Activities)

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PTR1 Pteridine reductase 1 (345 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in alcohol, chloroform, diethyl ether.
• Sensibilidad: Light sensitive
• Punto de fusión (°C): 132°C
• Peso molecular: 150.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.025 Da
• Monoisotopic Mass: 150.025 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 136-95-8, the molecular formula is C7H6N2S, and the molecular weight is 150.2 g/mol. InChIKey UHGULLIUJBCTEF-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.