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198645-55-5 | Thiourea, N,N''-1,4-phenylenebis[N'-[3-(triethoxysilyl)propyl]- (9CI)
CAS No: 198645-55-5 Catalog No: AG002BNW MDL No:
Product Description
Catalog Number:
AG002BNW
Chemical Name:
Thiourea, N,N''-1,4-phenylenebis[N'-[3-(triethoxysilyl)propyl]- (9CI)
CAS Number:
198645-55-5
Molecular Formula:
C26H50N4O6S2Si2
Molecular Weight:
634.9994
IUPAC Name:
1-(3-triethoxysilylpropyl)-3-[4-(3-triethoxysilylpropylcarbamothioylamino)phenyl]thiourea
InChI:
InChI=1S/C26H50N4O6S2Si2/c1-7-31-39(32-8-2,33-9-3)21-13-19-27-25(37)29-23-15-17-24(18-16-23)30-26(38)28-20-14-22-40(34-10-4,35-11-5)36-12-6/h15-18H,7-14,19-22H2,1-6H3,(H2,27,29,37)(H2,28,30,38)
InChI Key:
YFEOTFPFJOMGOC-UHFFFAOYSA-N
SMILES:
CCO[Si](OCC)(OCC)CCCNC(=S)Nc1ccc(cc1)NC(=S)NCCC[Si](OCC)(OCC)OCC
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.271g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
634.998g/mol
Monoisotopic Mass:
634.271g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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