2-Amino-4,5-dimethylthiazole Hydrobromide - ≥98% , CAS No.7170-76-5

CAS: 7170-76-5 Cat. No.: A151214 Molecular Weight: 209.11 Beilstein Registry Number: 27(4)4761 EC Number: 230-523-1

GRADE & PURITY ≥98%

Synonyms

4,5-dimethylthiazol-2-amine hydrobromide | J-514099 | SY057074 | Thiazole, 2-amino-4,5-dimethyl-, hydrobromide | Etravil | 2-Amino-4,5-dimethylthiazole hydrobromide | 2-Thiazolamine, 4,5-dimethyl-, monohydrobromide | 2-NAPHTHOL, 1-NITRO- | 4,5-dimethyl-1,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 5-dimethylthiazol-2-amine hydrobromide | J-514099 | SY057074 | Thiazole, 2-amino-4, 5-dimethyl-, hydrobromide | Etravil | 2-Amino-4, 5-dimethylthiazole hydrobromide | 2-Thiazolamine, 4, 5-dimethyl-, monohydrobromide | 2-NAPHTHOL, 1-NITRO- | 4, 5-dimethyl-1,

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184766
• Canonical Smiles: CC1=C(SC(=N1)N)C.Br
• IUPAC Name: 4,5-dimethyl-1,3-thiazol-2-amine;hydrobromide
• InChIKey: CATCJRCKBGAMKK-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H
• Isomeric SMILES: CC1=C(SC(=N1)N)C.Br
• Molecular Weight: 209.11
• Beilstein: 27(4)4761
• Reaxy-Rn: 3690705
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3690705&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: 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Primary amine - Organonitrogen compound - Amine - 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

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Molecular Weight: 209.110 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.967 Da
• Monoisotopic Mass: 207.967 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.500
• 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: 2

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