4-Methoxybenzothiazole - ≥95% , CAS No.3048-46-2

CAS: 3048-46-2 Cat. No.: M588648 Fórmula: C₈H₇NOS Peso molecular: 165.21

GRADE & PURITY ≥95%

Synonyms

SCHEMBL926186 | EN300-255937 | 4-Methoxybenzothiazole | 4-methoxy-benzothiazole | XQPAPBLJJLIQGV-UHFFFAOYSA-N | MFCD16877170 | DTXSID20505027 | 4-methoxy-1,3-benzothiazole | 4-Methoxybenzo[d]thiazole | Benzothiazole, 4-methoxy- | FT-0647054 | AKOS01600762

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL926186 | EN300-255937 | 4-Methoxybenzothiazole | 4-methoxy-benzothiazole | XQPAPBLJJLIQGV-UHFFFAOYSA-N | MFCD16877170 | DTXSID20505027 | 4-methoxy-1,3-benzothiazole | 4-Methoxybenzo[d]thiazole | Benzothiazole, 4-methoxy- | FT-0647054 | AKOS01600762

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 508809681
• Sorrisos canónicos: COC1=C2C(=CC=C1)SC=N2
• IUPAC Name: 4-methoxy-1,3-benzothiazole
• InChIKey: XQPAPBLJJLIQGV-UHFFFAOYSA-N
• INCHI: 1S/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
• SMILES isoméricas: COC1=C2C(=CC=C1)SC=N2
• Peso molecular: 165.21
• Reaxy-Rn: 129042
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129042&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: Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 165.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.025 Da
• Monoisotopic Mass: 165.025 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 11
• 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