2-(Chloromethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
C13H8Cl2N2OS
851398-76-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.0011 0.0000 0.0 0
M  V30 2 C 1.3338 4.6200 0.0 0
M  V30 3 Cl 0.0000 3.8500 0.0 0
M  V30 4 Cl 13.8647 3.0800 0.0 0
M  V30 5 C 5.3347 3.8500 0.0 0
M  V30 6 C 5.3347 2.3100 0.0 0
M  V30 7 C 6.7994 4.3259 0.0 0
M  V30 8 N 4.0011 4.6200 0.0 0
M  V30 9 S 6.7994 1.8341 0.0 0
M  V30 10 C 4.0011 1.5400 0.0 0
M  V30 11 C 7.7047 3.0800 0.0 0
M  V30 12 C 2.6674 3.8500 0.0 0
M  V30 13 N 2.6674 2.3100 0.0 0
M  V30 14 C 9.2447 3.0800 0.0 0
M  V30 15 C 10.0147 4.4137 0.0 0
M  V30 16 C 10.0147 1.7464 0.0 0
M  V30 17 C 11.5547 4.4137 0.0 0
M  V30 18 C 11.5547 1.7464 0.0 0
M  V30 19 C 12.3247 3.0800 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 10
M  V30 2 1 2 3
M  V30 3 1 2 12
M  V30 4 1 4 19
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 6 9
M  V30 9 1 6 10
M  V30 10 2 7 11
M  V30 11 1 8 12
M  V30 12 1 9 11
M  V30 13 1 10 13
M  V30 14 1 11 14
M  V30 15 2 12 13
M  V30 16 2 14 15
M  V30 17 1 14 16
M  V30 18 1 15 17
M  V30 19 2 16 18
M  V30 20 2 17 19
M  V30 21 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
851398-76-0

> <cas.index.name>
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(chloromethyl)-6-(4-chlorophenyl)-

> <molecular.formula>
C13H8Cl2N2OS

> <molecular.weight>
311.19

> <boiling.point.predicted>
500.7±60.0 °C    Press: 760 Torr

> <density.predicted>
1.58±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-2.26±0.20    Most Basic Temp: 25 °C

$$$$
