5-Methylthiazole - ≥97% , CAS No.3581-89-3

CAS: 3581-89-3 Cat. No.: M124661 分子式: C₄H₅NS 分子量: 99.15 Beilstein Registry Number: 104674 EC番号: 626-260-0

グレード＆純度 ≥97%

Synonyms

EN300-82995 | 5-Methyl-1,3-thiazole # | 5-Methylthiazole, 97% | A822987 | AKOS015897351 | BP-12694 | 5-Methyl-1,3-thiazole | SCHEMBL5007924 | FT-0620673 | MFCD00005335 | M2234 | InChI=1/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H | Thiazole, 5-methyl- | 5-methyl thiaz

Storage

Room temperature

Shipped In

Normal

概要

The microwave spectrum of 5-methylthiazole was investigated by employing both Fourier transform and Stark spectroscopy. 5-methyl thiazole undergoes alkylation with n-butyl bromide followed by anion exchange of Br- for BF4- to give mobile, room-temperature ionic liquids.
A chemical building block.

仕様

同義語

EN300-82995 | 5-Methyl-1,3-thiazole # | 5-Methylthiazole, 97% | A822987 | AKOS015897351 | BP-12694 | 5-Methyl-1,3-thiazole | SCHEMBL5007924 | FT-0620673 | MFCD00005335 | M2234 | InChI=1/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H | Thiazole, 5-methyl- | 5-methyl thiaz

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488187975

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187975

カノニカル・スマイル

CC1=CN=CS1

IUPAC Name

5-methyl-1,3-thiazole

InChIKey

RLYUNPNLXMSXAX-UHFFFAOYSA-N

INCHI

1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3

異性体SMILES

CC1=CN=CS1

WGKドイツ

3

分子量

99.15

Beilstein

104674

Reaxy-Rn

104674

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
• 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

• 屈折率: 1.528
• 引火点（°F）: 107.6 °F
• 引火点（°C）: 42°C(107°F)
• 沸点（°C）: 142 °C
• 融点（°C）: 141-142°C
• 分子量: 99.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.0143 Da
• Monoisotopic Mass: 99.0143 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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.

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 3581-89-3, the molecular formula is C4H5NS, and the molecular weight is 99.15 g/mol. InChIKey RLYUNPNLXMSXAX-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.