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

CAS: 63321-86-8 Cat. No.: M469480 分子式: C₈H₇NOS 分子量: 165.21 EC番号: 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

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

純度

≥97%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

COC1=NC2=CC=CC=C2S1

WGKドイツ

3

分子量

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
    • 分類 Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 分子量: 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

よくある質問

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.