Benzenesulfinic acid, 4-methyl-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]-


Chemical Name: Benzenesulfinic acid, 4-methyl-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, [S(S)]-
CAS Number: 1517-82-4
Product Number: AG007WTY(AGN-PC-0Q67A5)
Synonyms:
MDL No:
Molecular Formula: C17H26O2S
Molecular Weight: 294.4521

Identification/Properties


Computed Properties
Molecular Weight:
294.453g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
294.165g/mol
Monoisotopic Mass:
294.165g/mol
Topological Polar Surface Area:
45.5A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
321
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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