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79855-95-1 | Acetic acid,2,2'-[methylenebis(thio)]bis-, bis(2-ethylhexyl) ester (9CI)
CAS No: 79855-95-1 Catalog No: AG00555I MDL No:
Product Description
Catalog Number:
AG00555I
Chemical Name:
Acetic acid,2,2'-[methylenebis(thio)]bis-, bis(2-ethylhexyl) ester (9CI)
CAS Number:
79855-95-1
Molecular Formula:
C21H40O4S2
Molecular Weight:
420.6699
IUPAC Name:
2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylmethylsulfanyl]acetate
InChI:
InChI=1S/C21H40O4S2/c1-5-9-11-18(7-3)13-24-20(22)15-26-17-27-16-21(23)25-14-19(8-4)12-10-6-2/h18-19H,5-17H2,1-4H3
InChI Key:
GISKORVDMBOCCX-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CSCSCC(=O)OCC(CCCC)CC)CC
EC Number:
279-326-2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.237g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.667g/mol
Monoisotopic Mass:
420.237g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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