2-Amino-4-trifluoromethylthiazole - ≥97% , CAS No.349-49-5

CAS: 349-49-5 Cat. No.: A169774 Molecular Weight: 168.14 EC Number: 671-488-6

GRADE & PURITY ≥97%

Synonyms

AB-601/30915004 | Z330920398 | 2-amino-4-trifluoromethyl-1,3-thiazole | GEO-02881 | 2-Amino-4-trifluoromethylthiazole | AM20090546 | BB 0260033 | SY003850 | 4-(Trifluoromethyl)-2-thiazolamine | SCHEMBL245790 | 4-(trifluoromethyl)-1,3-thiazol-2-amine | FS-

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

AB-601/30915004 | Z330920398 | 2-amino-4-trifluoromethyl-1, 3-thiazole | GEO-02881 | 2-Amino-4-trifluoromethylthiazole | AM20090546 | BB 0260033 | SY003850 | 4-(Trifluoromethyl)-2-thiazolamine | SCHEMBL245790 | 4-(trifluoromethyl)-1, 3-thiazol-2-amine | FS-

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191735
• Canonical Smiles: C1=C(N=C(S1)N)C(F)(F)F
• IUPAC Name: 4-(trifluoromethyl)-1,3-thiazol-2-amine
• InChIKey: OVMGTNMCYLZGLS-UHFFFAOYSA-N
• INCHI: 1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
• Isomeric SMILES: C1=C(N=C(S1)N)C(F)(F)F
• Molecular Weight: 168.14
• Reaxy-Rn: 131090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131090&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: 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - 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

• Molecular Weight: 168.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 167.997 Da
• Monoisotopic Mass: 167.997 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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