KEGG   COMPOUND: C03311
Entry
C03311                      Compound                               
Name
Thien-2-ylacetonitrile
Formula
C6H5NS
Exact mass
123.0143
Mol weight
123.1756
Structure
Other DBs
PubChem: 6164
ChEBI: 27382
NIKKAJI: J25.372C
LinkDB
KCF data

ATOM        8
            1   C8x C    19.1038  -22.9234
            2   C8x C    19.4983  -24.2667
            3   C8x C    20.8977  -24.3066
            4   C8y C    21.3682  -22.9880
            5   S2x S    20.2594  -22.1331
            6   C1b C    22.5624  -22.2600
            7   C3b C    23.7749  -22.9600
            8   N3a N    24.9873  -23.6600
BOND        8
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 3

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