Chemical ID: 7116718

C1C2C(CS1(=O)=O)SC(=N2)N
Chemical ID:
7116718
Name [?]:
7,7-dioxo-4,7$l^{6}-dithia-2-azabicyclo[3.3.0]oct-2-en-3-amine
SMILES [?]:
C1C2C(CS1(=O)=O)SC(=N2)N
InChi [?]:
InChI=1/C5H8N2O2S2/c6-5-7-3-1-11(8,9)2-4(3)10-5/h3-4H,1-2H2,(H2,6,7)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,9,11,10,6,7,8,5/E:(8,9)/CRV:11.6/rA:11cCCCCSOOSCNN/rB:s1;s2;s3;s1s4;d5;d5;s3;s8;s2d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H8N2O2S2
All Atoms:19
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:4.87189
Area:319.916
Solvation:-3.12602
Coulombic:-22.6526
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:192.261
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.52
LogP (Chemaxon):-0.92

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Descriptor Annotations

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