Chemical ID: 4622159

Cc1ccc(cc1)c2nc3ccccc3s2
Chemical ID:
4622159
Name [?]:
2-(p-tolyl)benzothiazole
SMILES [?]:
Cc1ccc(cc1)c2nc3ccccc3s2
InChi [?]:
InChI=1/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,3,7,4,6,2,5,10,15,8,9,16/E:(6,7)(8,9)/rA:16nCCCCCCCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.08882
Area:401.911
Solvation:-0.958946
Coulombic:-9.2735
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.31
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.9
LogP (Chemaxon):4.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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