Chemical ID: 5038258

Cn1cnc(=S)c2c1[nH]cn2
Chemical ID:
5038258
Name [?]:
3-methyl-9H-purine-6-thione
SMILES [?]:
Cn1cnc(=S)c2c1[nH]cn2
InChi [?]:
InChI=1/C6H6N4S/c1-10-3-9-6(11)4-5(10)8-2-7-4/h2-3H,1H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,10,3,7,8,5,11,9,4,2,6/rA:11nCNCNCSCCNCN/rB:s1;s2;d3;s4;d5;s5;s2d7;s8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.1469
Area:308.207
Solvation:-1.55828
Coulombic:-28.6082
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:166.205
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.65
LogP (Chemaxon):0.68

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Experimental Annotations

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Descriptor Annotations

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