Chemical ID: 7468242

c1c(=O)nc2n(n1)C(=O)CS2
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

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