Chemical ID: 6429158

c1ccc(cc1)C=Cc2nc3ccccc3s2
Chemical ID:
6429158
Name [?]:
2-styrylbenzothiazole
SMILES [?]:
c1ccc(cc1)C=Cc2nc3ccccc3s2
InChi [?]:
InChI=1/C15H11NS/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,7,8,4,11,16,9,10,17/E:(2,3)(6,7)/rA:17nCCCCCCCCCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.7654
Area:398.092
Solvation:-1.18689
Coulombic:-9.49851
Bond Count [?]
All:19
Single:11
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:237.321
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.74
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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