COMPOUND: C10978
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Entry
C10978 Compound
Name
Triazolidinedithione;
4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidine-3,5-dithione
Formula
C12H12BrN3S2
Exact mass
340.9656
Mol weight
342.2778
Structure
Mol file
KCF file
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Other DBs
PubChem:
13161
ChEBI:
9676
NIKKAJI:
J720.782D
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KCF data
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ATOM 18
1 C1x C 22.9524 -18.8212
2 C1x C 22.9524 -20.2212
3 C1x C 24.1677 -20.9211
4 C1x C 24.1677 -18.1213
5 N4y N 25.3759 -18.8212
6 N4y N 25.3699 -20.2246
7 C8y C 26.7028 -20.6639
8 N4y N 27.5323 -19.5319
9 C8y C 26.7122 -18.3931
10 C8y C 28.9322 -19.5377
11 C8x C 29.6206 -20.7537
12 C8x C 31.0206 -20.6894
13 C8y C 31.7256 -19.5501
14 C8x C 31.0306 -18.3347
15 C8x C 29.6306 -18.3290
16 X Br 33.1254 -19.5558
17 S0 S 27.1505 -17.0636
18 S0 S 27.1299 -21.9971
BOND 20
1 8 9 1
2 9 5 1
3 4 1 1
4 8 10 1
5 1 2 1
6 2 3 1
7 3 6 1
8 5 4 1
9 10 11 2
10 11 12 1
11 12 13 2
12 13 14 1
13 14 15 2
14 15 10 1
15 5 6 1
16 13 16 1
17 6 7 1
18 9 17 2
19 7 8 1
20 7 18 2
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