5-Bromo-5′-phenylspiro[3H-indole-3,2′(3′H)-[1,3,4]thiadiazol]-2(1H)-one
C15H10BrN3OS
297180-15-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0811 0.0000 0.0 0
M  V30 2 Br 0.0000 5.2891 0.0 0
M  V30 3 C 4.5864 2.3016 0.0 0
M  V30 4 C 3.0801 2.6218 0.0 0
M  V30 5 S 6.0928 1.9814 0.0 0
M  V30 6 C 4.7473 0.7700 0.0 0
M  V30 7 N 4.4254 3.8331 0.0 0
M  V30 8 C 2.3101 1.2881 0.0 0
M  V30 9 C 2.3101 3.9554 0.0 0
M  V30 10 C 6.8629 3.3151 0.0 0
M  V30 11 N 3.3405 0.1435 0.0 0
M  V30 12 N 5.8323 4.4595 0.0 0
M  V30 13 C 0.7700 1.2881 0.0 0
M  V30 14 C 0.7700 3.9554 0.0 0
M  V30 15 C 0.0000 2.6218 0.0 0
M  V30 16 C 8.3944 3.4760 0.0 0
M  V30 17 C 9.2996 2.2301 0.0 0
M  V30 18 C 9.0207 4.8830 0.0 0
M  V30 19 C 10.8312 2.3911 0.0 0
M  V30 20 C 10.5523 5.0439 0.0 0
M  V30 21 C 11.4575 3.7980 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 6
M  V30 2 1 2 14
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 5 1 3 6
M  V30 6 1 3 7
M  V30 7 1 4 8
M  V30 8 2 4 9
M  V30 9 1 5 10
M  V30 10 1 6 11
M  V30 11 1 7 12
M  V30 12 1 8 11
M  V30 13 2 8 13
M  V30 14 1 9 14
M  V30 15 2 10 12
M  V30 16 1 10 16
M  V30 17 1 13 15
M  V30 18 2 14 15
M  V30 19 2 16 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 2 18 20
M  V30 23 2 19 21
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
297180-15-5

> <cas.index.name>
Spiro[3H-indole-3,2′(3′H)-[1,3,4]thiadiazol]-2(1H)-one, 5-bromo-5′-phenyl-

> <molecular.formula>
C15H10BrN3OS

> <molecular.weight>
360.23

> <density.predicted>
1.76±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
0.44±0.20    Most Basic Temp: 25 °C

$$$$
