KEGG   COMPOUND: C18741
Entry
C18741                      Compound                               
Name
MCPA-thioethyl
Formula
C11H13ClO2S
Exact mass
244.0325
Mol weight
244.7377
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Phenoxy herbicides
    C18741  MCPA-thioethyl
Other DBs
CAS: 25319-90-8
PubChem: 124489415
ChEBI: 81929
KCF data

ATOM        15
            1   C8x C    25.3400  -17.9900
            2   C8y C    25.3400  -19.3900
            3   C8x C    26.5300  -20.0900
            4   C8x C    27.7200  -19.3900
            5   C8y C    27.7200  -17.9900
            6   C8y C    26.5300  -17.2900
            7   X   Cl   24.0800  -20.0900
            8   C1a C    26.5300  -15.8900
            9   O2a O    28.9800  -17.2900
            10  C1b C    30.1700  -17.9900
            11  C5a C    31.4300  -17.2900
            12  S2a S    32.6200  -17.9900
            13  O5a O    31.4300  -15.8900
            14  C1b C    33.8381  -17.2999
            15  C1a C    35.0195  -17.9950
BOND        15
            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     2   7 1
            8     6   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1

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