Carbamimidothioic acid, phenyl-, 1,6-hexanediyl ester, dihydrobromide
C20H26N4S2.2BrH
63498-32-8 Copyright (C) 2024 ACS
 27 27  0  0  0  0  0  0  0  0999 V2000
    4.0012    3.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.8501    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    4.6201    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <cas.rn>
63498-32-8

> <cas.index.name>
Carbamimidothioic acid, phenyl-, 1,6-hexanediyl ester, dihydrobromide

> <molecular.formula>
C20H26N4S2.2BrH

> <molecular.weight>
548.40

> <melting.point.experimental>
198 °C    Solvent: Acetonitrile

$$$$
