5-Methoxy-2-methylbenzothiazole - ≥96% , CAS No.2941-69-7

CAS: 2941-69-7 Cat. No.: M136149 분자식: C₉H₉NOS 분자량: 179.24 Beilstein Registry Number: 27(3/4)1903 EC 번호: 220-929-7

GRADE & PURITY ≥96%

Synonyms

UNII-X3XTQ4YUR3 | 5-methoxy-2-methyl-1,3-benzothiazole | Cambridge id 5150005 | EN300-138821 | 2-methyl-5-methoxy-1,3-benzothiazole | 2-Methyl- 5 C methoxy- benzothiazole | 2-Methyl-5-methoxybenzothiazole | 2-Methyl-5-methoxy-benzothiazole | X3XTQ4YUR3 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

UNII-X3XTQ4YUR3 | 5-methoxy-2-methyl-1,3-benzothiazole | Cambridge id 5150005 | EN300-138821 | 2-methyl-5-methoxy-1,3-benzothiazole | 2-Methyl- 5 C methoxy- benzothiazole | 2-Methyl-5-methoxybenzothiazole | 2-Methyl-5-methoxy-benzothiazole | X3XTQ4YUR3 |

사양 및 순도

≥96%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥96%

이름과 식별자

정식 스마일

CC1=NC2=C(S1)C=CC(=C2)OC

IUPAC Name

5-methoxy-2-methyl-1,3-benzothiazole

InChIKey

SAQMNBWVOKYKPZ-UHFFFAOYSA-N

INCHI

1S/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3

이성체 SMILES

CC1=NC2=C(S1)C=CC(=C2)OC

분자량

179.24

Beilstein

27(3/4)1903

Reaxy-Rn

124232

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124232&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzothiazoles

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

화학 및 물리적 특성

• 감도: Air Sensitive
• 끓는점(°C): 135 °C/3 mmHg
• 녹는점(°C): 37 °C
• 분자량: 179.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.04 Da
• Monoisotopic Mass: 179.04 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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

자주 묻는 질문

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2941-69-7, the molecular formula is C9H9NOS, and the molecular weight is 179.24 g/mol. InChIKey SAQMNBWVOKYKPZ-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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.