2-Methoxybenzothiazole - ≥97% , CAS No.63321-86-8

CAS: 63321-86-8 Cat. No.: M469480 Summenformel: C₈H₇NOS Molekulargewicht: 165.21 EG-Nummer: 806-279-2

GRADE & PURITY ≥97%

Synonyms

BS-29233 | NSC 81224 | InChI=1/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H | FT-0735224 | SCHEMBL347497 | 2-Methoxybenzothiazole, 97% | methoxybenzothiazole | 2-Methoxybenzothiazole | DTXSID00212707 | AKOS024323141 | 2-methoxy-1,3-benzothiazole | 2-Meth

Storage

Room temperature

Specifications

Synonyme

BS-29233 | NSC 81224 | InChI=1/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H | FT-0735224 | SCHEMBL347497 | 2-Methoxybenzothiazole, 97% | methoxybenzothiazole | 2-Methoxybenzothiazole | DTXSID00212707 | AKOS024323141 | 2-methoxy-1,3-benzothiazole | 2-Meth

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: COC1=NC2=CC=CC=C2S1
• IUPAC Name: 2-methoxy-1,3-benzothiazole
• InChIKey: OJKLTHIQRARJCE-UHFFFAOYSA-N
• INCHI: 1S/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
• Isomere SMILES: COC1=NC2=CC=CC=C2S1
• WGK Deutschland: 3
• Molekulargewicht: 165.21
• Reaxy-Rn: 122356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Alkyl aryl ethers Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Molekulargewicht: 165.210 g/mol
• XLogP3: 2.600
• 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

Häufig gestellte Fragen

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.

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

The CAS Number is 63321-86-8, the molecular formula is C8H7NOS, and the molecular weight is 165.21 g/mol. InChIKey OJKLTHIQRARJCE-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.