(4-Methyl-1,3-thiazol-2-yl)methanol - ≥97% , CAS No.13750-63-5

CAS: 13750-63-5 Cat. No.: M181359 Molecular Weight: 129.18 EC Number: 691-817-7

GRADE & PURITY ≥97%

Synonyms

2-Hydroxymethyl-4-Methylthiazole | EC-000.1612 | (4-Methyl-thiazol-2-yl)-methanol | (4-methylthiazol-2-yl)methanol | DTXSID10590760 | MFCD08236826 | (4-methyl-1,3-thiazol-2-yl)methanol, AldrichCPR | 4-methyl-5-(beta-hydroxymethyl)thiazole | 2-(Hydroxymeth

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Hydroxymethyl-4-Methylthiazole | EC-000.1612 | (4-Methyl-thiazol-2-yl)-methanol | (4-methylthiazol-2-yl)methanol | DTXSID10590760 | MFCD08236826 | (4-methyl-1, 3-thiazol-2-yl)methanol, AldrichCPR | 4-methyl-5-(beta-hydroxymethyl)thiazole | 2-(Hydroxymeth

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CSC(=N1)CO
• IUPAC Name: (4-methyl-1,3-thiazol-2-yl)methanol
• InChIKey: CQMPPPAHJBQCOY-UHFFFAOYSA-N
• INCHI: 1S/C5H7NOS/c1-4-3-8-5(2-7)6-4/h3,7H,2H2,1H3
• Isomeric SMILES: CC1=CSC(=N1)CO
• Molecular Weight: 129.18
• Reaxy-Rn: 108571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108571&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 129.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.025 Da
• Monoisotopic Mass: 129.025 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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