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26401-38-7 | Acetic acid, 2,2'-tetrathiobis-, diisooctyl ester (9CI)
CAS No: 26401-38-7 Catalog No: AG002T2Z MDL No:
Product Description
Catalog Number:
AG002T2Z
Chemical Name:
Acetic acid, 2,2'-tetrathiobis-, diisooctyl ester (9CI)
CAS Number:
26401-38-7
Molecular Formula:
C20H38O4S4
Molecular Weight:
470.7733
IUPAC Name:
6-methylheptyl 2-[[2-(6-methylheptoxy)-2-oxoethyl]tetrasulfanyl]acetate
InChI:
InChI=1S/C20H38O4S4/c1-17(2)11-7-5-9-13-23-19(21)15-25-27-28-26-16-20(22)24-14-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3
InChI Key:
LNAHGKYVCDQLGS-UHFFFAOYSA-N
SMILES:
CC(CCCCCOC(=O)CSSSSCC(=O)OCCCCCC(C)C)C
EC Number:
247-661-3
NSC Number:
137817
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.165g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.76g/mol
Monoisotopic Mass:
470.165g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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