KEGG   COMPOUND: C20170
Entry
C20170                      Compound                               
Name
Benzoyl isothiocyanate
Formula
C8H5NOS
Exact mass
163.0092
Mol weight
163.20
Structure
Other DBs
CAS: 532-55-8
PubChem: 163311913
LinkDB
KCF data

ATOM        11
            1   C8x C    10.6400  -17.6400
            2   C8x C    10.6400  -19.0400
            3   C8x C    11.8524  -19.7400
            4   C8x C    13.0649  -19.0400
            5   C8y C    13.0649  -17.6400
            6   C8x C    11.8524  -16.9400
            7   C5a C    14.3024  -16.9400
            8   N2b N    15.5149  -17.6400
            9   O5a O    14.3086  -15.5403
            10  C0  C    16.7460  -16.9290
            11  S0  S    17.9584  -16.2290
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     5   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 2
            11   10  11 2

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