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

CAS: 31699-14-6 Cat. No.: I294184 Molecular Weight: 302.135 EC Number: 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

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Desiccated

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: 488191590
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)I
• Molecular Weight: 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
    • 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: 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
• 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

• Refractive Index: 1.728
• Flash Point(°C): 207.8ºC
• Boil Point(°C): 419.9ºC at 760mmHg
• Melt Point(°C): 171.0-172.8ºC
• Molecular Weight: 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