Chemical ID: 5232452

Cc1cn2ccsc2n1
Chemical ID:
5232452
Name [?]:
7-methyl-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene
SMILES [?]:
Cc1cn2ccsc2n1
InChi [?]:
InChI=1/C6H6N2S/c1-5-4-8-2-3-9-6(8)7-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,3,2,8,9,4,7/rA:9nCCCNCCSCN/rB:s1;d2;s3;s4;d5;s6;s4s7;s2d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N2S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.60432
Area:278.263
Solvation:-1.35225
Coulombic:-11.0886
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:138.191
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.54
LogP (Chemaxon):1.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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