1-Isothiocyanato-4-[(R)-methylsulfinyl]butane
C6H11NOS2
142825-10-3 Copyright (C) 2023 ACS
 10  9  0  0  1  0  0  0  0  0999 V2000
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 S   0  0  2  0  0  4  0  0  0  0  0  0
    8.0023    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    0.7700    0.0000 S   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
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <cas.rn>
142825-10-3

> <cas.index.name>
Butane, 1-isothiocyanato-4-[(R)-methylsulfinyl]-

> <molecular.formula>
C6H11NOS2

> <molecular.weight>
177.29

> <boiling.point.predicted>
368.2±25.0 °C    Press: 760 Torr

> <density.predicted>
1.17±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
