2-Methoxythiazole-5-carbaldehyde - ≥95% , CAS No.95453-59-1

CAS: 95453-59-1 Cat. No.: M196064 Summenformel: C₅H₅NO₂S Molekulargewicht: 143.16 EG-Nummer: 841-525-2

GRADE & PURITY ≥95%

Synonyms

AB50989 | EN300-218534 | A859038 | 2-methoxy-1,3-thiazole-5-carbaldehyde | AM20120377 | Z1198220900 | DTXSID80586175 | SCHEMBL4892445 | J-509890 | FT-0650261 | MFCD09693732 | 2-Methoxythiazole-5-carbaldehyde | AKOS000320671 | DS-11161

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AB50989 | EN300-218534 | A859038 | 2-methoxy-1,3-thiazole-5-carbaldehyde | AM20120377 | Z1198220900 | DTXSID80586175 | SCHEMBL4892445 | J-509890 | FT-0650261 | MFCD09693732 | 2-Methoxythiazole-5-carbaldehyde | AKOS000320671 | DS-11161

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528757438
• Kanonisches Lächeln: COC1=NC=C(S1)C=O
• IUPAC Name: 2-methoxy-1,3-thiazole-5-carbaldehyde
• InChIKey: XTXZVLUCJBYWFC-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO2S/c1-8-5-6-2-4(3-7)9-5/h2-3H,1H3
• Isomere SMILES: COC1=NC=C(S1)C=O
• Molekulargewicht: 143.16
• Reaxy-Rn: 37458044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37458044&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Alkyl aryl ether - 2,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 143.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 143.004 Da
• Monoisotopic Mass: 143.004 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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