Chemical ID: 5117738

CCN1C(=O)C(=CC=C2N(CCS2)CI)OC1=S
Chemical ID:
5117738
Name [?]:
3-ethyl-5-[2-[3-(iodomethyl)thiazolidin-2-ylidene]ethylidene]-2-thioxo-oxazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=CC=C2N(CCS2)CI)OC1=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H13IN2O2S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:10.4673
Area:492.151
Solvation:-1.83652
Coulombic:-35.0871
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:396.27
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.7
LogP (Chemaxon):3.6

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