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84145-16-4 | 2-[[[(DECYLTHIO)ACETYL]OXY]METHYL]-2-ETHYL-1,3-PROPANEDIYL BIS[(DECYLTHIO)ACETATE]
CAS No: 84145-16-4 Catalog No: AG004SHD MDL No:
Product Description
Catalog Number:
AG004SHD
Chemical Name:
2-[[[(DECYLTHIO)ACETYL]OXY]METHYL]-2-ETHYL-1,3-PROPANEDIYL BIS[(DECYLTHIO)ACETATE]
CAS Number:
84145-16-4
Molecular Formula:
C42H80O6S3
Molecular Weight:
777.2760
IUPAC Name:
2,2-bis[(2-decylsulfanylacetyl)oxymethyl]butyl 2-decylsulfanylacetate
InChI:
InChI=1S/C42H80O6S3/c1-5-9-12-15-18-21-24-27-30-49-33-39(43)46-36-42(8-4,37-47-40(44)34-50-31-28-25-22-19-16-13-10-6-2)38-48-41(45)35-51-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3
InChI Key:
WUAYEQCHCBAXFU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCSCC(=O)OCC(COC(=O)CSCCCCCCCCCC)(COC(=O)CSCCCCCCCCCC)CC
EC Number:
282-240-8
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
776.512g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
777.276g/mol
Monoisotopic Mass:
776.512g/mol
Rotatable Bond Count:
43
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.4
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