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23509-80-0 | 2-Thiazolidinethione, 3,3'-hexamethylenebis[4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5,5'-diacetate (8CI)
CAS No: 23509-80-0 Catalog No: AG002NGR MDL No:
Product Description
Catalog Number:
AG002NGR
Chemical Name:
2-Thiazolidinethione, 3,3'-hexamethylenebis[4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5,5'-diacetate (8CI)
CAS Number:
23509-80-0
Molecular Formula:
C22H36N2O6S4
Molecular Weight:
552.7910
IUPAC Name:
2-[3-[6-[5-(2-acetyloxyethyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl]hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl acetate
InChI:
InChI=1S/C22H36N2O6S4/c1-15(25)29-13-9-17-21(3,27)23(19(31)33-17)11-7-5-6-8-12-24-20(32)34-18(22(24,4)28)10-14-30-16(2)26/h17-18,27-28H,5-14H2,1-4H3
InChI Key:
SBJODACRXYHVRZ-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC1SC(=S)N(C1(C)O)CCCCCCN1C(=S)SC(C1(C)O)CCOC(=O)C
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.146g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
552.778g/mol
Monoisotopic Mass:
552.146g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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