COMPOUND: C13711
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Entry
C13711 Compound
Name
Thio-THIP;
4,5,6,7-Tetrahydroisothiazolo[5,4-c]pyridin-3-ol
Formula
C6H8N2OS
Exact mass
156.0357
Mol weight
156.2055
Structure
Mol file
KCF file
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Other DBs
PubChem:
586300
ChEBI:
35010
NIKKAJI:
J845.494I
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KCF data
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ATOM 10
1 S2x S 29.3288 -21.0079
2 N5x N 30.3412 -19.7083
3 C8y C 29.4954 -18.6798
4 C8y C 28.0894 -20.4547
5 C8y C 28.0808 -19.0535
6 C1x C 26.9681 -18.2998
7 C1x C 25.7239 -18.9472
8 N1x N 25.6625 -20.3482
9 C1x C 26.8452 -21.1020
10 O1a O 29.9829 -17.3722
BOND 11
1 2 3 2
2 3 5 1
3 4 1 1
4 4 5 2
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 4 1
10 1 2 1
11 3 10 1
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