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23509-83-3 | 2-Thiazolidinethione, 3,3'-ethylenebis[4-hydroxy-4-phenyl- (8CI)
CAS No: 23509-83-3 Catalog No: AG002NGP MDL No:
Product Description
Catalog Number:
AG002NGP
Chemical Name:
2-Thiazolidinethione, 3,3'-ethylenebis[4-hydroxy-4-phenyl- (8CI)
CAS Number:
23509-83-3
Molecular Formula:
C20H20N2O2S4
Molecular Weight:
448.6450
IUPAC Name:
4-hydroxy-3-[2-(4-hydroxy-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-4-phenyl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C20H20N2O2S4/c23-19(15-7-3-1-4-8-15)13-27-17(25)21(19)11-12-22-18(26)28-14-20(22,24)16-9-5-2-6-10-16/h1-10,23-24H,11-14H2
InChI Key:
IUEUIOIHCUBHAQ-UHFFFAOYSA-N
SMILES:
S=C1SCC(N1CCN1C(=S)SCC1(O)c1ccccc1)(O)c1ccccc1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.041g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.632g/mol
Monoisotopic Mass:
448.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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