Chemical ID: 5576458

Cc1nnc2n1nc(s2)C
Chemical ID:
5576458
Name [?]:
3,6-dimethyl-2-thia-4,5,7,8-tetrazabicyclo[3.3.0]octa-3,6,8-triene
SMILES [?]:
Cc1nnc2n1nc(s2)C
InChi [?]:
InChI=1/C5H6N4S/c1-3-6-7-5-9(3)8-4(2)10-5/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,8,5,3,4,7,6,9/rA:10nCCNNCNNCSC/rB:s1;d2;s3;d4;s2s5;s6;d7;s5s8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N4S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.42451
Area:299.482
Solvation:-1.06255
Coulombic:-10.0577
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:154.194
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.64
LogP (Chemaxon):-0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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