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130727-51-4 | Ethanethioic acid, S-(23-hydroxy-12,15,18,21-tetraoxatricos-1-yl) ester
CAS No: 130727-51-4 Catalog No: AG000UVG MDL No:
Product Description
Catalog Number:
AG000UVG
Chemical Name:
Ethanethioic acid, S-(23-hydroxy-12,15,18,21-tetraoxatricos-1-yl) ester
CAS Number:
130727-51-4
Molecular Formula:
C21H42O6S
Molecular Weight:
422.6196
IUPAC Name:
S-[11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl] ethanethioate
InChI:
InChI=1S/C21H42O6S/c1-21(23)28-20-10-8-6-4-2-3-5-7-9-12-24-14-16-26-18-19-27-17-15-25-13-11-22/h22H,2-20H2,1H3
InChI Key:
YIUDKVMGCQIRHR-UHFFFAOYSA-N
SMILES:
OCCOCCOCCOCCOCCCCCCCCCCCSC(=O)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.27g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.621g/mol
Monoisotopic Mass:
422.27g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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