COMPOUND: C14432
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Entry
C14432 Compound
Name
Thiophanate-methyl;
1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene
Formula
C12H14N4O4S2
Exact mass
342.0456
Mol weight
342.394
Structure
Mol file
KCF file
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Brite
Pesticides [BR:
br08007
]
Pesticides
Fungicides
Carbamate fungicides
C14432 Thiophanate-methyl
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Other DBs
CAS:
23564-05-8
PubChem:
17395432
ChEBI:
35014
NIKKAJI:
J3.471A
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KCF data
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ATOM 22
1 C8x C 24.4990 -24.2923
2 C8x C 24.4990 -25.6979
3 C8x C 25.7162 -26.4006
4 C8y C 26.9335 -25.6979
5 C8y C 26.9335 -24.2923
6 C8x C 25.7162 -23.5896
7 N1b N 28.1695 -23.5785
8 N1b N 28.1695 -26.4117
9 C2c C 28.1692 -27.8061
10 C2c C 28.1692 -22.1841
11 S0 S 26.9400 -21.4746
12 N1b N 29.3744 -21.4879
13 C7a C 30.5691 -22.1775
14 O7a O 31.7636 -21.4875
15 C1a C 32.9587 -22.1772
16 S0 S 26.9400 -28.5156
17 N1b N 29.3744 -28.5023
18 C7a C 30.5691 -27.8128
19 O7a O 31.7636 -28.5028
20 C1a C 32.9587 -27.8130
21 O6a O 30.5694 -23.5893
22 O6a O 30.5695 -26.4009
BOND 22
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 5 7 1
8 4 8 1
9 8 9 1
10 7 10 1
11 10 11 2
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 9 16 2
17 9 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 13 21 2
22 18 22 2
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