Chemical ID: 5582613

CCC(=Cc1[n+](c2cc(ccc2s1)C)CCCS(=O)(=O)[O-])SC
Chemical ID:
5582613
Name [?]:
3-[5-methyl-2-(2-methylsulfanylbut-1-enyl)benzothiazol-3-yl]propane-1-sulfonate
SMILES [?]:
CCC(=Cc1[n+](c2cc(ccc2s1)C)CCCS(=O)(=O)[O-])SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H21NO3S3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-25.2745
Area:561.925
Solvation:-39.3226
Coulombic:8.34628
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:371.541
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):-1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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