Chemical ID: 4767353

Cn1c(n[nH]c1=S)c2ccccn2
Chemical ID:
4767353
Name [?]:
4-methyl-5-(2-pyridyl)-2H-1,2,4-triazole-3-thione
SMILES [?]:
Cn1c(n[nH]c1=S)c2ccccn2
InChi [?]:
InChI=1/C8H8N4S/c1-12-7(10-11-8(12)13)6-4-2-3-5-9-6/h2-5H,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,8,3,6,13,4,5,2,7/rA:13nCNCNNCSCCCCCN/rB:s1;s2;d3;s4;s2s5;d6;s3;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.20096
Area:347.884
Solvation:-1.49613
Coulombic:-24.581
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.242
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.02
LogP (Chemaxon):1.95

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Descriptor Annotations

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