Chemical ID: 5567607

Cc1c2c(nc(s2)C#N)n(n1)C
Chemical ID:
5567607
Name [?]:
6,8-dimethyl-2-thia-4,6,7-triazabicyclo[3.3.0]octa-3,7,9-triene-3-carbonitrile
SMILES [?]:
Cc1c2c(nc(s2)C#N)n(n1)C
InChi [?]:
InChI=1/C7H6N4S/c1-4-6-7(11(2)10-4)9-5(3-8)12-6/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,2,6,3,4,9,5,11,10,7/rA:12nCCCCNCSCNNNC/rB:s1;s2;d3;s4;d5;s3s6;s6;t8;s4;d2s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.08484
Area:344.773
Solvation:-1.53448
Coulombic:-14.7265
Bond Count [?]
All:13
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.215
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.06
LogP (Chemaxon):1.37

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