4-(4-ISOPROPYL-PHENYL)-THIAZOL-2-YLAMINE - ≥95% , CAS No.108481-92-1

CAS: 108481-92-1 Cat. No.: I165841 Peso molecular: 218.323 Número EC: 672-128-0

GRADE & PURITY ≥95%

Synonyms

F0010-0179 | SCHEMBL1799856 | AS-31232 | 2-Amino-4-(4-isopropylphenyl)- thiazole | 2-amino-4-(4-isopropylphenyl)thiazole | MFCD00989465 | Oprea1_717317 | 4-(4-isopropyl-phenyl)-thiazol-2-yl amine | J-002155 | Z48847627 | BBL013871 | 4-(4-isopropylphenyl)-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

F0010-0179 | SCHEMBL1799856 | AS-31232 | 2-Amino-4-(4-isopropylphenyl)- thiazole | 2-amino-4-(4-isopropylphenyl)thiazole | MFCD00989465 | Oprea1_717317 | 4-(4-isopropyl-phenyl)-thiazol-2-yl amine | J-002155 | Z48847627 | BBL013871 | 4-(4-isopropylphenyl)-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504759825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759825
• Sonrisas canónicas: CC(C)C1=CC=C(C=C1)C2=CSC(=N2)N
• IUPAC Name: 4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
• InChIKey: UFBAQAAATDLTAZ-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2S/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(13)14-11/h3-8H,1-2H3,(H2,13,14)
• Isómeros SMILES: CC(C)C1=CC=C(C=C1)C2=CSC(=N2)N
• Peso molecular: 218.323
• Reaxy-Rn: 148607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=148607&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Primary amine - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

• Peso molecular: 218.320 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.088 Da
• Monoisotopic Mass: 218.088 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 200.000
• 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