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180729-93-5 | 2,2'-Bithiazole, 5,5'-dibromo-4,4'-dihexyl-
CAS No: 180729-93-5 Catalog No: AG0022AN MDL No:
Product Description
Catalog Number:
AG0022AN
Chemical Name:
2,2'-Bithiazole, 5,5'-dibromo-4,4'-dihexyl-
CAS Number:
180729-93-5
Molecular Formula:
C18H26Br2N2S2
Molecular Weight:
494.3504
IUPAC Name:
5-bromo-2-(5-bromo-4-hexyl-1,3-thiazol-2-yl)-4-hexyl-1,3-thiazole
InChI:
InChI=1S/C18H26Br2N2S2/c1-3-5-7-9-11-13-15(19)23-17(21-13)18-22-14(16(20)24-18)12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key:
CUEAYYKPBOHFDR-UHFFFAOYSA-N
SMILES:
CCCCCCc1nc(sc1Br)c1nc(c(s1)Br)CCCCCC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.988g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.348g/mol
Monoisotopic Mass:
491.99g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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