2,4-Dibromothiazole-5-methanol - ≥95% , CAS No.170232-68-5

CAS: 170232-68-5 Cat. No.: D182021 Summenformel: C₄H₃Br₂NOS Molekulargewicht: 272.9

GRADE & PURITY ≥95%

Synonyms

AKOS015835055 | 2,4-Dibromothiazole-5-methanol | MFCD09953521 | SCHEMBL859604 | 2,4-Dibromo-5-(hydroxymethyl)thiazole | DTXSID40435019 | (2,4-Dibromo-thiazol-5-yl)-methanol | (2,4-dibromothiazol-5-yl)methanol | KDMYXTBGUWUKHT-UHFFFAOYSA-N | (2,4-dibromo-1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS015835055 | 2,4-Dibromothiazole-5-methanol | MFCD09953521 | SCHEMBL859604 | 2,4-Dibromo-5-(hydroxymethyl)thiazole | DTXSID40435019 | (2,4-Dibromo-thiazol-5-yl)-methanol | (2,4-dibromothiazol-5-yl)methanol | KDMYXTBGUWUKHT-UHFFFAOYSA-N | (2,4-dibromo-1

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C(C1=C(N=C(S1)Br)Br)O

IUPAC Name

(2,4-dibromo-1,3-thiazol-5-yl)methanol

InChIKey

KDMYXTBGUWUKHT-UHFFFAOYSA-N

INCHI

1S/C4H3Br2NOS/c5-3-2(1-8)9-4(6)7-3/h8H,1H2

Isomere SMILES

C(C1=C(N=C(S1)Br)Br)O

Molekulargewicht

272.9

Reaxy-Rn

7289007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7289007&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: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols 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 - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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