Chemical ID: 4907359

CS(=O)(=O)Oc1nnc2n1nc(s2)OS(=O)(=O)C
Chemical ID:
4907359
Name [?]:
3,6-bis(methylsulfonyloxy)-2-thia-4,5,7,8-tetrazabicyclo[3.3.0]octa-3,6,8-triene
SMILES [?]:
CS(=O)(=O)Oc1nnc2n1nc(s2)OS(=O)(=O)C
InChi [?]:
InChI=1/C5H6N4O6S3/c1-17(10,11)14-3-6-7-4-9(3)8-5(16-4)15-18(2,12)13/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,9,12,7,8,11,10,3,4,16,17,5,14,13,2,15/E:(10,11)(12,13)/CRV:17.6,18.6/rA:18nCSOOOCNNCNNCSOSOOC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s6s9;s10;d11;s9s12;s12;s14;d15;d15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N4O6S3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.9711
Area:426.168
Solvation:-4.68312
Coulombic:-24.8903
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.323
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.05
LogP (Chemaxon):-0.62

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Descriptor Annotations

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