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180729-92-4

180729-92-4 | 2,2'-Bithiazole, 4,4'-dihexyl-

CAS No: 180729-92-4 Catalog No: AG0022AO MDL No:

Product Description

Catalog Number:
AG0022AO
Chemical Name:
2,2'-Bithiazole, 4,4'-dihexyl-
CAS Number:
180729-92-4
Molecular Formula:
C18H28N2S2
Molecular Weight:
336.5583
IUPAC Name:
4-hexyl-2-(4-hexyl-1,3-thiazol-2-yl)-1,3-thiazole
InChI:
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
InChI Key:
SGULKBNNLZPMAE-UHFFFAOYSA-N
SMILES:
CCCCCCc1csc(n1)c1scc(n1)CCCCCC

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.169g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.556g/mol
Monoisotopic Mass:
336.169g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  

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