KEGG   COMPOUND: C14438Help
Entry
C14438                      Compound                               

Name
Captan
Formula
C9H8Cl3NO2S
Exact mass
298.9341
Mol weight
300.5893
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
dicarboximide fungicide
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Dicarboximide fungicides
    C14438  Captan
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14438  Captan
BRITE hierarchy
Other DBs
CAS: 
133-06-2
PubChem: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        16
            1   C2x C    22.4446  -19.8666
            2   C2x C    22.4446  -21.2712
            3   C1x C    23.6610  -21.9735
            4   C1y C    24.8775  -21.2712
            5   C1y C    24.8775  -19.8666
            6   C1x C    23.6610  -19.1643
            7   C5x C    26.2133  -21.7052
            8   N1y N    27.0390  -20.5689
            9   C5x C    26.2133  -19.4325
            10  O5x O    26.6459  -18.1014
            11  O5x O    26.6459  -23.0364
            12  S2a S    28.4142  -20.5689
            13  C1d C    29.7465  -20.5953
            14  X   Cl   31.1509  -20.5953
            15  X   Cl   30.4588  -19.4530
            16  X   Cl   30.5988  -21.7376
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    7  11 2
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 1
            17   13  16 1

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