(2R,3R)-3-[[2-[[4-[[S(R)]-S-Cyclopropylsulfonimidoyl]phenyl]amino]-5-(trifluo...
C18H21F3N4O3S
1223498-69-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  29 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 3.0800 4.0011 0.0 0
M  V30 2 C 2.3100 5.3347 0.0 0 CFG=2
M  V30 3 C 0.7700 5.3347 0.0 0 CFG=2
M  V30 4 C 3.0800 6.6685 0.0 0
M  V30 5 C 0.0000 6.6685 0.0 0
M  V30 6 O 0.0000 4.0011 0.0 0
M  V30 7 C 4.6200 1.3338 0.0 0
M  V30 8 F 5.9536 0.5638 0.0 0
M  V30 9 F 3.8500 0.0000 0.0 0
M  V30 10 F 3.2864 2.1038 0.0 0
M  V30 11 N 7.7000 6.6685 0.0 0
M  V30 12 S 13.8600 6.6685 0.0 0 CFG=1 VAL=6
M  V30 13 N 13.8600 8.2085 0.0 0
M  V30 14 O 13.8600 5.1285 0.0 0
M  V30 15 C 4.6200 4.0011 0.0 0
M  V30 16 C 5.3900 2.6674 0.0 0
M  V30 17 N 5.3900 5.3347 0.0 0
M  V30 18 C 6.9300 2.6674 0.0 0
M  V30 19 C 6.9300 5.3347 0.0 0
M  V30 20 N 7.7000 4.0011 0.0 0
M  V30 21 C 9.2400 6.6685 0.0 0
M  V30 22 C 10.0100 8.0021 0.0 0
M  V30 23 C 10.0100 5.3347 0.0 0
M  V30 24 C 11.5500 8.0021 0.0 0
M  V30 25 C 11.5500 5.3347 0.0 0
M  V30 26 C 12.3200 6.6685 0.0 0
M  V30 27 C 15.4000 6.6685 0.0 0
M  V30 28 C 16.7336 5.8985 0.0 0
M  V30 29 C 16.7336 7.4385 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 15
M  V30 3 1 2 3
M  V30 4 1 2 4 CFG=1
M  V30 5 1 3 5
M  V30 6 1 3 6 CFG=3
M  V30 7 1 7 8
M  V30 8 1 7 9
M  V30 9 1 7 10
M  V30 10 1 7 16
M  V30 11 1 11 19
M  V30 12 1 11 21
M  V30 13 2 12 13
M  V30 14 2 12 14
M  V30 15 1 12 26 CFG=1
M  V30 16 1 12 27 CFG=1
M  V30 17 1 15 16
M  V30 18 2 15 17
M  V30 19 2 16 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 2 19 20
M  V30 23 2 21 22
M  V30 24 1 21 23
M  V30 25 1 22 24
M  V30 26 2 23 25
M  V30 27 2 24 26
M  V30 28 1 25 26
M  V30 29 1 27 28
M  V30 30 1 27 29
M  V30 31 1 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 2 3 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1223498-69-8

> <cas.index.name>
2-Butanol, 3-[[2-[[4-[[S(R)]-S-cyclopropylsulfonimidoyl]phenyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]oxy]-, (2R,3R)-

> <molecular.formula>
C18H21F3N4O3S

> <molecular.weight>
430.45

> <boiling.point.predicted>
577.4±60.0 °C    Press: 760 Torr

> <density.predicted>
1.50±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
