Chemical ID: 6850549

Cc1ccccc1c2cn(c([nH+]2)S)c3ccc(cc3)Cl
Chemical ID:
6850549
Name [?]:
3-(4-chlorophenyl)-5-(o-tolyl)-1H-imidazole-2-thiol
SMILES [?]:
Cc1ccccc1c2cn(c([nH+]2)S)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H13ClN2S/c1-11-4-2-3-5-14(11)15-10-19(16(20)18-15)13-8-6-12(17)7-9-13/h2-10H,1H3,(H,18,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,18,15,19,9,2,17,14,7,8,11,20,12,10,13/E:(6,7)(8,9)/rA:20nCCCCCCCCCNCN+SCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;s8d11;s11;s10;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClN2S+
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-18.5258
Area:488.531
Solvation:-30.7391
Coulombic:-5.93346
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.815
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.7
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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