Chemical ID: 4522724

CC[n+]1c2cc(ccc2sc1C=C(C)SC)OC
Chemical ID:
4522724
Name [?]:
3-ethyl-5-methoxy-2-(2-methylsulfanylprop-1-enyl)benzothiazole
SMILES [?]:
CC[n+]1c2cc(ccc2sc1C=C(C)SC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H18NOS2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-16.0212
Area:459.912
Solvation:-27.519
Coulombic:10.5006
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:280.431
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.06
LogP (Chemaxon):-0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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