KEGG   COMPOUND: C14644
Entry
C14644                      Compound                               
Name
4-Bromophenylthiourea;
N-p-Bromophenylthiourea
Formula
C7H7BrN2S
Exact mass
229.9513
Mol weight
231.1129
Structure
Other DBs
CAS: 2646-30-2
PubChem: 17395644
ChEBI: 34391
NIKKAJI: J49.092J
KCF data

ATOM        11
            1   C8x C    12.8100  -18.2000
            2   C8y C    12.8100  -19.6000
            3   C8x C    14.0224  -20.3000
            4   C8x C    15.2349  -19.6000
            5   C8y C    15.2349  -18.2000
            6   C8x C    14.0224  -17.5000
            7   X   Br   11.5976  -20.3000
            8   N1b N    16.4660  -17.4890
            9   C2c C    17.6712  -18.1847
            10  N1a N    18.8535  -17.5019
            11  S0  S    17.6716  -19.5996
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2

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