Chemical ID: 4988692

CCC(=Cc1[n+](c2ccccc2s1)CC)SC
Chemical ID:
4988692
Name [?]:
3-ethyl-2-(2-methylsulfanylbut-1-enyl)benzothiazole
SMILES [?]:
CCC(=Cc1[n+](c2ccccc2s1)CC)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H18NS2+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-15.2603
Area:436.263
Solvation:-26.1669
Coulombic:15.3831
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:264.431
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.4
LogP (Chemaxon):0.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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