61982
  CDK     0602212310

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.0789    1.9346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2  9  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:173523

> <NAME>
8-Mercapto-p-menthan-3-one

> <STAR>
2

> <IUPAC_NAME>
5-methyl-2-(2-sulanylpropan-2-yl)cyclohexan-1-one

> <FORMULA>
C10H18OS

> <MASS>
186.310

> <MONOISOTOPIC_MASS>
186.10784

> <CHARGE>
0

> <SMILES>
SC(C1CCC(CC1=O)C)(C)C

> <INCHI>
InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3

> <INCHIKEY>
RVOKNSFEAOYULQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
33281-91-3

> <CHEMIDPLUS>
33281-91-3

$$$$