Chemical ID: 4310852

CCC(=Cc1[n+](c2cc(ccc2s1)OC)CC)SC
Chemical ID:
4310852
Name [?]:
3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)benzothiazole
SMILES [?]:
CCC(=Cc1[n+](c2cc(ccc2s1)OC)CC)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H20NOS2+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-15.6684
Area:473.569
Solvation:-27.5077
Coulombic:10.1401
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:294.457
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.32
LogP (Chemaxon):-0.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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