KEGG   COMPOUND: C11113
Entry
C11113                      Compound                               
Name
Methaphenilene
Formula
C15H20N2S
Exact mass
260.1347
Mol weight
260.3977
Structure
Other DBs
CAS: 493-78-7
PubChem: 13295
ChEBI: 6819
NIKKAJI: J6.072K
LinkDB
KCF data

ATOM        18
            1   C8x C    23.6759  -19.8192
            2   C8x C    23.2348  -18.4865
            3   S2x S    24.3732  -17.6637
            4   C8y C    25.5117  -18.4865
            5   C8x C    25.0777  -19.8192
            6   C8x C    29.1465  -20.5858
            7   C8x C    29.1465  -21.9876
            8   C8x C    27.9286  -22.6850
            9   C8x C    26.7180  -21.9876
            10  C8x C    26.7180  -20.5858
            11  C8y C    27.9286  -19.8813
            12  N1c N    27.9349  -18.4865
            13  C1b C    26.7234  -17.7891
            14  C1b C    29.1465  -17.7962
            15  C1b C    30.3511  -18.4936
            16  N1c N    31.5628  -17.8033
            17  C1a C    32.7743  -18.5007
            18  C1a C    31.5697  -16.4015
BOND        19
            1     7   8 2
            2     8   9 1
            3     9  10 2
            4    10  11 1
            5    11   6 2
            6    11  12 1
            7     1   2 2
            8    12  13 1
            9    13   4 1
            10    2   3 1
            11   12  14 1
            12    3   4 1
            13   14  15 1
            14    4   5 2
            15   15  16 1
            16    5   1 1
            17   16  17 1
            18    6   7 1
            19   16  18 1

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