4,4'-Dihexyl-2,2'-bithiazole - ≥98%(HPLC) , CAS No.180729-92-4

CAS: 180729-92-4 Cat. No.: D290429 Formula: C18H28N2S2

GRADE & PURITY ≥98%(HPLC)

Synonyms

4,4'-dihexyl-2,2'-bithiazole|180729-92-4|4-HEXYL-2-(4-HEXYL-1,3-THIAZOL-2-YL)-1,3-THIAZOLE|SCHEMBL8937107|DTXSID70598828|C18H28N2S2|4,4'-Dihexyl-2,2'-bi-1,3-thiazole

Storage

Room temperature

Specifications

Sinonimi

4,4'-dihexyl-2,2'-bithiazole | 180729-92-4 | 4-HEXYL-2-(4-HEXYL-1,3-THIAZOL-2-YL)-1,3-THIAZOLE | SCHEMBL8937107 | DTXSID70598828 | C18H28N2S2 | 4,4'-Dihexyl-2,2'-bi-1,3-thiazole

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

CCCCCCC1=CSC(=N1)C2=NC(=CS2)CCCCCC

IUPAC Name

4-hexyl-2-(4-hexyl-1,3-thiazol-2-yl)-1,3-thiazole

InChIKey

SGULKBNNLZPMAE-UHFFFAOYSA-N

INCHI

1S/C18H28N2S2/c1-3-5-7-9-11-15-13-21-17(19-15)18-20-16(14-22-18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3

Isomeri SMILES

CCCCCCC1=CSC(=N1)C2=NC(=CS2)CCCCCC

Reaxy-Rn

22235109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22235109&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: 2,4-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 336.600 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 336.169 Da
• Monoisotopic Mass: 336.169 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 260.000
• 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