2-Benzothiazolemethanamine - ≥95% , CAS No.42182-65-0

CAS: 42182-65-0 Cat. No.: B184464 Fórmula: C₈H₈N₂S Peso molecular: 164.2 Número CE: 802-070-5

GRADE & PURITY ≥95%

Synonyms

1,3-benzothiazol-2-ylmethylamine|42182-65-0|Benzo[d]thiazol-2-ylmethanamine|1,3-Benzothiazol-2-ylmethanamine|1-(1,3-benzothiazol-2-yl)methanamine|(1,3-benzothiazol-2-ylmethyl)amine|Benzothiazole-2-methanamine|CHEMBL1770734|(1,3-benzothiazol-2-yl)methanami

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,3-benzothiazol-2-ylmethylamine | 42182-65-0 | Benzo[d]thiazol-2-ylmethanamine | 1,3-Benzothiazol-2-ylmethanamine | 1-(1,3-benzothiazol-2-yl)methanamine | (1,3-benzothiazol-2-ylmethyl)amine | Benzothiazole-2-methanamine | CHEMBL1770734 | (1,3-benzothiazol-2-yl)methanami

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504758557
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758557
• Sorrisos canónicos: C1=CC=C2C(=C1)N=C(S2)CN
• IUPAC Name: 1,3-benzothiazol-2-ylmethanamine
• InChIKey: VLBUERZRFSORRZ-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
• SMILES isoméricas: C1=CC=C2C(=C1)N=C(S2)CN
• Peso molecular: 164.2
• Reaxy-Rn: 4062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Aralkylamines Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Aralkylamine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

ASIC3 Tchem Amiloride-sensitive cation channel 3 (217 Activities)

Discover Target: ASIC3

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

LOXL2 Tchem Lysyl oxidase homolog 2 (834 Activities)

Discover Target: LOXL2

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

Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Ube2d3 Ubiquitin-conjugating enzyme E2 D3 (38 Activities)

Discover Target: Ube2d3

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 164.230 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.041 Da
• Monoisotopic Mass: 164.041 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% 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 42182-65-0, the molecular formula is C8H8N2S, and the molecular weight is 164.2 g/mol. InChIKey VLBUERZRFSORRZ-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.