Home Other Building Blocks (1S,2R,5S)-(+)-Menthyl (r)-p-toluenesulfinate

(1S,2R,5S)-(+)-Menthyl (r)-p-toluenesulfinate

CAS No.:
91796-57-5
Catalog Number:
AG003BIH
Molecular Formula:
C17H26O2S
Molecular Weight:
294.4521
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97.0%(HPLC)
1 week
United States
$91
- +
5g
>97.0%(HPLC)
1 week
United States
$194
- +
Product Description
Catalog Number:
AG003BIH
Chemical Name:
(1S,2R,5S)-(+)-Menthyl (r)-p-toluenesulfinate
CAS Number:
91796-57-5
Molecular Formula:
C17H26O2S
Molecular Weight:
294.4521
MDL Number:
MFCD00064472
IUPAC Name:
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
InChI:
InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-,20?/m1/s1
InChI Key:
NQICGNSARVCSGJ-IUINDACWSA-N
SMILES:
C[C@H]1CCC(C(C1)O[S@@](=O)c1ccc(cc1)C)C(C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
294.165g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.453g/mol
Monoisotopic Mass:
294.165g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties