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88458-55-3 | Ethanethiol, 2,2'-[1,3-propanediylbis(oxy)]bis-
CAS No: 88458-55-3 Catalog No: AG004FIE MDL No:
Product Description
Catalog Number:
AG004FIE
Chemical Name:
Ethanethiol, 2,2'-[1,3-propanediylbis(oxy)]bis-
CAS Number:
88458-55-3
Molecular Formula:
C7H16O2S2
Molecular Weight:
196.3307
IUPAC Name:
2-[3-(2-sulfanylethoxy)propoxy]ethanethiol
InChI:
InChI=1S/C7H16O2S2/c10-6-4-8-2-1-3-9-5-7-11/h10-11H,1-7H2
InChI Key:
TZAAAVZNMQLKCW-UHFFFAOYSA-N
SMILES:
SCCOCCCOCCS
Properties
Complexity:
63.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.323g/mol
Monoisotopic Mass:
196.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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