L-Methionine-DL-sulfoximine
C5H12N2O3S
15985-39-4 Copyright (C) 2024 ACS
 11 10  0  0  1  0  0  0  0  0999 V2000
    2.6673    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0009    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    1.5400    0.0000 S   0  0  3  0  0  6  0  0  0  0  0  0
    0.0000    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5409    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  1  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
> <cas.rn>
15985-39-4

> <cas.index.name>
Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-

> <molecular.formula>
C5H12N2O3S

> <molecular.weight>
180.23

> <boiling.point.predicted>
352.202±52.00 °C    Press: 760.00 Torr

> <density.predicted>
1.463±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
