KEGG   COMPOUND: C07558Help
Entry
C07558                      Compound                               

Name
Methitural
Formula
C12H20N2O2S2
Exact mass
288.0966
Mol weight
288.4294
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 467-43-6
PubChem: 9761
ChEBI: 6831
ChEMBL: CHEMBL2104624
NIKKAJI: J524.427G
KCF data Show

ATOM        18
            1   C1z C    27.6430  -20.5521
            2   C5x C    27.6430  -21.9621
            3   C5x C    26.4320  -19.8443
            4   C1c C    29.1288  -20.5521
            5   C1b C    27.6370  -19.2066
            6   N1x N    26.4320  -22.6582
            7   O5x O    28.8657  -22.6582
            8   N1x N    25.2093  -20.5521
            9   O5x O    26.4320  -18.4403
            10  C1b C    29.8368  -19.3471
            11  C1a C    29.7665  -21.6988
            12  C1b C    28.8480  -18.4929
            13  C2y C    25.2093  -21.9621
            14  C1b C    31.2525  -19.3471
            15  S2a S    28.8423  -17.0888
            16  S0  S    23.9983  -22.6640
            17  C1a C    32.0480  -18.2121
            18  C1a C    30.0473  -16.3810
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 1
            18    8  13 1

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