KEGG   COMPOUND: C02660
Entry
C02660                      Compound                               
Name
Benzyl thiocyanate
Formula
C8H7NS
Exact mass
149.0299
Mol weight
149.2129
Structure
Reaction
R04010 R13132
Enzyme
4.8.1.7         5.99.1.1
Other DBs
CAS: 3012-37-1
PubChem: 5633
ChEBI: 16017
3DMET: B00480
NIKKAJI: J7.663E
LinkDB
KCF data

ATOM        10
            1   C8y C    17.2362  -14.4191
            2   C8x C    17.2362  -15.8278
            3   C8x C    16.0133  -13.7213
            4   C1b C    18.4399  -13.7213
            5   C8x C    16.0133  -16.5384
            6   C8x C    14.8095  -14.4191
            7   S2a S    19.6436  -14.4128
            8   C8x C    14.8095  -15.8278
            9   C3b C    20.8537  -13.7085
            10  N3a N    22.0574  -13.0105
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     7   9 1
            9     9  10 3
            10    6   8 1

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