Chemical ID: 4262396

c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)[O-]
Chemical ID:
4262396
Name [?]:
3-benzothiazol-2-ylsulfanylpropane-1-sulfonate
SMILES [?]:
c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H10NO3S3-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-30.142
Area:466.175
Solvation:-41.7964
Coulombic:12.1428
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.389
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.42
LogP (Chemaxon):0.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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