2,5-ジメチルチアゾール - ≥97% , CAS No.4175-66-0

CAS: 4175-66-0 Cat. No.: D184448 分子式: C₅H₇NS 分子量: 113.18 EC番号: 806-489-4

GRADE & PURITY ≥97%

Synonyms

SY030427 | 2,5-Dimethylthiazole | CHEBI:184697 | EN300-90249 | SCHEMBL119227 | MFCD00130120 | Thiazole, 2,5-dimethyl- | AKOS006275451 | UNII-4JGJ9O7P4J | AS-15118 | 2-{[4-(4-Fluorophenyl)-6-(trifluoromethyl)-pyrimidin-2-yl]thio}propanoicacid | FEMA NO. 40

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

SY030427 | 2,5-Dimethylthiazole | CHEBI:184697 | EN300-90249 | SCHEMBL119227 | MFCD00130120 | Thiazole, 2,5-dimethyl- | AKOS006275451 | UNII-4JGJ9O7P4J | AS-15118 | 2-{[4-(4-Fluorophenyl)-6-(trifluoromethyl)-pyrimidin-2-yl]thio}propanoicacid | FEMA NO. 40

仕様と純度

≥97%

保管条件

Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

カノニカル・スマイル

CC1=CN=C(S1)C

IUPAC Name

2,5-dimethyl-1,3-thiazole

InChIKey

WVUHHPQQQLBMOE-UHFFFAOYSA-N

INCHI

1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3

異性体SMILES

CC1=CN=C(S1)C

分子量

113.18

Reaxy-Rn

108117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108117&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: 2,5-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - Heteroaromatic compound - 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 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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

• 分子量: 113.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.03 Da
• Monoisotopic Mass: 113.03 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 65.099
• 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 4175-66-0, the molecular formula is C5H7NS, and the molecular weight is 113.18 g/mol. InChIKey WVUHHPQQQLBMOE-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.