COMPOUND: C10973
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Entry
C10973 Compound
Name
Thiadiazolidinone;
5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidin-2-one
Formula
C12H12BrN3OS
Exact mass
324.9884
Mol weight
326.2122
Structure
Mol file
KCF file
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Other DBs
PubChem:
13156
ChEBI:
9529
NIKKAJI:
J571.146K
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KCF data
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ATOM 18
1 C1x C 23.1904 -19.7895
2 C1x C 23.1904 -21.1893
3 C1x C 24.4056 -21.8892
4 C1x C 24.4056 -19.0896
5 N4y N 25.6136 -19.7895
6 N4y N 25.6079 -21.1927
7 C8y C 26.9406 -21.6320
8 S2x S 27.7698 -20.5003
9 C8y C 26.9500 -19.3616
10 O5x O 27.3677 -22.9651
11 N2b N 27.3881 -18.0321
12 C8y C 28.7585 -17.7468
13 C8x C 29.6870 -18.7939
14 C8x C 31.0574 -18.5085
15 C8y C 31.4957 -17.1791
16 C8x C 30.5633 -16.1349
17 C8x C 29.1929 -16.4202
18 X Br 32.8661 -16.8939
BOND 20
1 8 9 1
2 9 5 1
3 4 1 1
4 7 10 2
5 9 11 2
6 1 2 1
7 11 12 1
8 2 3 1
9 3 6 1
10 5 4 1
11 5 6 1
12 6 7 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 12 1
19 7 8 1
20 15 18 1
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