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89141-22-0 | 3,6,9,12,15-Pentaoxaheptadecane-1,17-dithiol
CAS No: 89141-22-0 Catalog No: AG003XIO MDL No:
Product Description
Catalog Number:
AG003XIO
Chemical Name:
3,6,9,12,15-Pentaoxaheptadecane-1,17-dithiol
CAS Number:
89141-22-0
Molecular Formula:
C12H26O5S2
Molecular Weight:
314.4618
IUPAC Name:
2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
InChI:
InChI=1S/C12H26O5S2/c18-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-12-19/h18-19H,1-12H2
InChI Key:
DMHSDYYORJTHAS-UHFFFAOYSA-N
SMILES:
SCCOCCOCCOCCOCCOCCS
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.455g/mol
Monoisotopic Mass:
314.122g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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