Chemical ID: 4182700

c1ccc2c(c1)nc(s2)SCCC(=O)O
Chemical ID:
4182700
Name [?]:
3-benzothiazol-2-ylsulfanylpropanoic acid
SMILES [?]:
c1ccc2c(c1)nc(s2)SCCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H9NO2S2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.25557
Area:415.379
Solvation:-2.12891
Coulombic:-33.362
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.316
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.78
LogP (Chemaxon):3.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue