Marvin  11230712232D          

  6  5  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  4  1  1  0  0  0  0
M  END
> <ID>
CHEBI:47874

> <NAME>
(R)-2-mercaptopropanoic acid

> <STAR>
3

> <SYNONYM>
(2R)-2-mercaptopropanoic acid

> <IUPAC_NAME>
(2R)-2-sulfanylpropanoic acid

> <FORMULA>
C3H6O2S

> <MASS>
106.14454

> <MONOISOTOPIC_MASS>
106.00885

> <CHARGE>
0

> <SMILES>
C[C@@H](S)C(O)=O

> <INCHI>
InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)/t2-/m1/s1

> <INCHIKEY>
PMNLUUOXGOOLSP-UWTATZPHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1720255

$$$$