Chemical ID: 6533066

Cc1ccc(cc1)C=Cc2nc3ccccc3s2
Chemical ID:
6533066
Name [?]:
2-[2-(p-tolyl)vinyl]benzothiazole
SMILES [?]:
Cc1ccc(cc1)C=Cc2nc3ccccc3s2
InChi [?]:
InChI=1/C16H13NS/c1-12-6-8-13(9-7-12)10-11-16-17-14-4-2-3-5-15(14)18-16/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,8,9,2,5,12,17,10,11,18/E:(6,7)(8,9)/rA:18nCCCCCCCCCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.24245
Area:418.021
Solvation:-1.20807
Coulombic:-9.24042
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:251.347
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.18
LogP (Chemaxon):5.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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