Chemical ID: 4810850

C1C2C(CS1(=O)=O)SC(=N)[NH2+]2
Chemical ID:
4810850
Name [?]:
7,7-dioxo-4,7$l^{6}-dithia-2-azoniabicyclo[3.3.0]octan-3-imine
SMILES [?]:
C1C2C(CS1(=O)=O)SC(=N)[NH2+]2
InChi [?]:
InChI=1/C5H8N2O2S2/c6-5-7-3-1-11(8,9)2-4(3)10-5/h3-4H,1-2H2,(H2,6,7)/p+1
InChi Info:
AuxInfo=1/1/N:1,4,2,3,9,10,11,6,7,8,5/E:(8,9)/CRV:11.6/rA:11cCCCCSOOSCNN+/rB:s1;s2;s3;s1s4;d5;d5;s3;s8;w9;s2s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H9N2O2S2+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:-32.998
Area:319.443
Solvation:-40.9841
Coulombic:36.3461
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:193.269
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.07
LogP (Chemaxon):-0.76

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