KEGG   COMPOUND: C18978
Entry
C18978                      Compound                               
Name
Demeton-S
Formula
C8H19O3PS2
Exact mass
258.0513
Mol weight
258.3384
Structure
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Insecticides
   Organophosphorus insecticides
    C18978  Demeton-S
Other DBs
CAS: 126-75-0
PubChem: 124489650
ChEBI: 82117
KCF data

ATOM        14
            1   P1b P    17.0100  -12.6000
            2   O3b O    17.0100  -11.2000
            3   O2b O    18.4100  -12.6000
            4   O2b O    15.6100  -12.6000
            5   S2a S    17.0100  -14.0000
            6   C1b C    19.1100  -13.8124
            7   C1a C    20.5098  -13.8124
            8   C1b C    14.9100  -11.3876
            9   C1a C    13.5100  -11.3876
            10  C1b C    15.7976  -14.7000
            11  C1b C    15.7976  -16.1000
            12  S2a S    14.6021  -16.7904
            13  C1b C    14.6021  -18.1904
            14  C1a C    13.4067  -18.8809
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     3   6 1
            6     6   7 1
            7     4   8 1
            8     8   9 1
            9     5  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
All databases (3)   

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