Chemical ID: 4766215

CCCCn1c(n[nH]c1=S)c2ccncc2
Chemical ID:
4766215
Name [?]:
4-butyl-5-(4-pyridyl)-2H-1,2,4-triazole-3-thione
SMILES [?]:
CCCCn1c(n[nH]c1=S)c2ccncc2
InChi [?]:
InChI=1/C11H14N4S/c1-2-3-8-15-10(13-14-11(15)16)9-4-6-12-7-5-9/h4-7H,2-3,8H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,16,13,15,4,11,6,9,14,7,8,5,10/E:(4,5)(6,7)/rA:16nCCCCNCNNCSCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;s5s8;d9;s6;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.54247
Area:416.399
Solvation:-1.86751
Coulombic:-23.5626
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.322
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.28
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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