COMPOUND: C10977
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Entry
C10977 Compound
Name
Thiadiazolidinethione;
5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidine-2-thione
Formula
C12H12BrN3S2
Exact mass
340.9656
Mol weight
342.2778
Structure
Mol file
KCF file
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Other DBs
PubChem:
13160
ChEBI:
9528
NIKKAJI:
J720.783B
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KCF data
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ATOM 18
1 C1x C 23.1618 -19.8113
2 C1x C 23.1618 -21.2111
3 C1x C 24.3770 -21.9110
4 C1x C 24.3770 -19.1114
5 N4y N 25.5851 -19.8113
6 N4y N 25.5792 -21.2145
7 C8y C 26.9120 -21.6538
8 S2x S 27.7413 -20.5219
9 C8y C 26.9215 -19.3832
10 N2b N 27.3596 -18.0538
11 S0 S 27.3390 -22.9869
12 C8y C 28.7300 -17.7686
13 C8x C 29.6585 -18.8155
14 C8x C 31.0290 -18.5302
15 C8y C 31.4671 -17.2008
16 C8x C 30.5349 -16.1567
17 C8x C 29.1644 -16.4419
18 X Br 32.8375 -16.9154
BOND 20
1 8 9 1
2 9 5 1
3 4 1 1
4 9 10 2
5 7 11 2
6 1 2 1
7 10 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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