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66130-85-6 | Guanidine, N,N'''-1,8-octanediylbis[N'-cyano-N''-[3-(2-thiazolyl)propyl]-
CAS No: 66130-85-6 Catalog No: AG006JP2 MDL No:
Product Description
Catalog Number:
AG006JP2
Chemical Name:
Guanidine, N,N'''-1,8-octanediylbis[N'-cyano-N''-[3-(2-thiazolyl)propyl]-
CAS Number:
66130-85-6
Molecular Formula:
C24H36N10S2
Molecular Weight:
528.7396
IUPAC Name:
1-cyano-3-[8-[[N-cyano-N'-[3-(1,3-thiazol-2-yl)propyl]carbamimidoyl]amino]octyl]-2-[3-(1,3-thiazol-2-yl)propyl]guanidine
InChI:
InChI=1S/C24H36N10S2/c25-19-33-23(31-13-7-9-21-27-15-17-35-21)29-11-5-3-1-2-4-6-12-30-24(34-20-26)32-14-8-10-22-28-16-18-36-22/h15-18H,1-14H2,(H2,29,31,33)(H2,30,32,34)
InChI Key:
DFNVJHYMUWLSRZ-UHFFFAOYSA-N
SMILES:
N#CNC(=NCCCc1nccs1)NCCCCCCCCNC(=NCCCc1nccs1)NC#N
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.257g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
528.742g/mol
Monoisotopic Mass:
528.257g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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