1,2-Dithiolane-3-hexanoic acid


Chemical Name: 1,2-Dithiolane-3-hexanoic acid
CAS Number: 5616-71-7
Product Number: AG00DXHX(AGN-PC-03RCL6)
Synonyms:
MDL No:
Molecular Formula: C9H16O2S2
Molecular Weight: 220.35214

Identification/Properties


Computed Properties
Molecular Weight:
220.345g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
220.059g/mol
Monoisotopic Mass:
220.059g/mol
Topological Polar Surface Area:
87.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
162
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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