2,5-Dibromo-4-(hydroxymethyl)thiazole - ≥95% , CAS No.934236-32-5

CAS: 934236-32-5 Cat. No.: D188384 Molecular Weight: 272.9 EC Number: 108-641-9

GRADE & PURITY ≥95%

Synonyms

MFCD09265498 | (2,5-Dibromothiazol-4-yl)methanol | AT10197 | (2,5-dibromo-1,3-thiazol-4-yl)methanol | 2,5-Dibromothiazole-4-methanol | 2,5-Dibromo-4-(hydroxymethyl)thiazole | SCHEMBL17372955 | AKOS015835069 | 2,5-Dibromo-4-(hydroxymethyl)-1,3-thiazole | F

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD09265498 | (2, 5-Dibromothiazol-4-yl)methanol | AT10197 | (2, 5-dibromo-1, 3-thiazol-4-yl)methanol | 2, 5-Dibromothiazole-4-methanol | 2, 5-Dibromo-4-(hydroxymethyl)thiazole | SCHEMBL17372955 | AKOS015835069 | 2, 5-Dibromo-4-(hydroxymethyl)-1, 3-thiazole | F

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C1=C(SC(=N1)Br)Br)O
• IUPAC Name: (2,5-dibromo-1,3-thiazol-4-yl)methanol
• InChIKey: LYBQIWVOTDMGEP-UHFFFAOYSA-N
• INCHI: 1S/C4H3Br2NOS/c5-3-2(1-8)7-4(6)9-3/h8H,1H2
• Isomeric SMILES: C(C1=C(SC(=N1)Br)Br)O
• Molecular Weight: 272.9
• Reaxy-Rn: 11216301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11216301&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: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 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

Chemical and Physical Properties

• Molecular Weight: 272.950 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 272.828 Da
• Monoisotopic Mass: 270.83 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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