2-Amino-5-phenylthiazole - ≥98% , CAS No.39136-63-5

CAS: 39136-63-5 Cat. No.: A184243 Formule: C₉H₈N₂S Poids moléculaire: 176.2 Numéro CE: 254-312-9

GRADE & PURITY ≥98%

Synonyms

P2865 | 5-phenyl-1,3-thiazol-2-amine | BB 0301294 | FS-3584 | Oprea1_837745 | AC-7236 | 2-thiazolamine, 5-phenyl- | Cambridge id 5655136 | CEPHALOTHINSODIUMSALT | A846632 | SY005298 | 5-Phenylthiazol-2-amine | DTXSID50192383 | SCHEMBL69900 | AB01318 | EN3

Storage

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

Shipped In

Wet ice

Specifications

Synonymes

P2865 | 5-phenyl-1,3-thiazol-2-amine | BB 0301294 | FS-3584 | Oprea1_837745 | AC-7236 | 2-thiazolamine, 5-phenyl- | Cambridge id 5655136 | CEPHALOTHINSODIUMSALT | A846632 | SY005298 | 5-Phenylthiazol-2-amine | DTXSID50192383 | SCHEMBL69900 | AB01318 | EN3

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504760299
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760299
• Sourires canoniques: C1=CC=C(C=C1)C2=CN=C(S2)N
• IUPAC Name: 5-phenyl-1,3-thiazol-2-amine
• InChIKey: LSLUWQIENURREM-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
• Isomères SMILES: C1=CC=C(C=C1)C2=CN=C(S2)N
• Poids moléculaire: 176.2
• Reaxy-Rn: 127417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127417&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Benzene and substituted derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive;Air sensitive
• Point de fusion (°C): 206℃
• Poids moléculaire: 176.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.041 Da
• Monoisotopic Mass: 176.041 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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