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33328-53-9 | 5,5'-[1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diylbis(5-methylhexanenitrile)
CAS No: 33328-53-9 Catalog No: AG007GD4 MDL No:
Product Description
Catalog Number:
AG007GD4
Chemical Name:
5,5'-[1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diylbis(5-methylhexanenitrile)
CAS Number:
33328-53-9
Molecular Formula:
C18H24N4S2
Molecular Weight:
360.5400
IUPAC Name:
5-[5-(5-cyano-2-methylpentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylhexanenitrile
InChI:
InChI=1S/C18H24N4S2/c1-17(2,9-5-7-11-19)15-21-13-14(23-15)22-16(24-13)18(3,4)10-6-8-12-20/h5-10H2,1-4H3
InChI Key:
DJXBOXJGVAEWPN-UHFFFAOYSA-N
SMILES:
N#CCCCC(c1nc2c(s1)nc(s2)C(CCCC#N)(C)C)(C)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.144g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.538g/mol
Monoisotopic Mass:
360.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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