4-(4-iodophenyl)-1,3-thiazol-2-amine - ≥97% , CAS No.31699-14-6

CAS: 31699-14-6 Cat. No.: I294184 Peso molecular: 302.135 Número EC: 672-112-3

GRADE & PURITY ≥97%

Synonyms

FT-0757195 | C9H7IN2S | F2146-0027 | AS-31289 | 4-(4-Iodophenyl)thiazol-2-amine | SCHEMBL1802130 | SY012621 | 2,2-Dimethyl-N-(3-trimethylsilanylpyridin-2-yl)-propionamide | 4-(4-Iodophenyl)-thiazol-2-ylamine | 4-(4-Iodophenyl)thiazol-2-ylamine | BBL021185

Storage

Conservar a 2-8°C,Protegido de la luz,Desecado

Shipped In

Hielo húmedo

Specifications

Sinónimos

FT-0757195 | C9H7IN2S | F2146-0027 | AS-31289 | 4-(4-Iodophenyl)thiazol-2-amine | SCHEMBL1802130 | SY012621 | 2, 2-Dimethyl-N-(3-trimethylsilanylpyridin-2-yl)-propionamide | 4-(4-Iodophenyl)-thiazol-2-ylamine | 4-(4-Iodophenyl)thiazol-2-ylamine | BBL021185

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Desecado

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191590
• Sonrisas canónicas: C1=CC(=CC=C1C2=CSC(=N2)N)I
• IUPAC Name: 4-(4-iodophenyl)-1,3-thiazol-2-amine
• InChIKey: CBCNLOOXYGEQQZ-UHFFFAOYSA-N
• INCHI: 1S/C9H7IN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
• Isómeros SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)I
• Peso molecular: 302.135
• Reaxy-Rn: 153902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153902&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Iodobenzenes Aryl iodides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.728
• Punto de inflamación (°C): 207.8ºC
• Punto de ebullición (°C): 419.9ºC at 760mmHg
• Punto de fusión (°C): 171.0-172.8ºC
• Peso molecular: 302.140 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 301.937 Da
• Monoisotopic Mass: 301.937 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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