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Chemical ID: 7468242
Chemical ID:
7468242
Name [?]:
9-thia-2,5,6-triazabicyclo[4.3.0]nona-1,4-diene-3,7-dione
SMILES [?]:
c1c(=O)nc2n(n1)C(=O)CS2
InChi [?]:
InChI=1/C5H3N3O2S/c9-3-1-6-8-4(10)2-11-5(8)7-3/h1H,2H2
InChi Info:
AuxInfo=1/0/N:1,10,2,8,5,7,4,6,3,9,11/rA:11nCCONCNNCOCS/rB:s1;d2;s2;d4;s5;d1s6;s6;d8;s8;s5s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H3N3O2S |
All Atoms: | 14 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.66886 |
Area: | 301.911 |
Solvation: | -2.87892 |
Coulombic: | -29.404 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 169.162 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.53 |
LogP (Chemaxon): | -0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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