Basic information
- CAS
21494-75-7- Standard SMILES
O=C1CSC(=S)N1c1ccc(I)cc1- InChIKey
VISGEZPFIGHFLQ-UHFFFAOYSA-N- Molecular formula
- C9H6INOS2
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.89355
Names & identifiers
- Preferred name
- Rhodanine, 3-(p-iodophenyl)-
- IUPAC
- 3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
3-(p-Iodophenyl)rhodanineRhodanine, 3-(p-iodophenyl)-21494-75-7FD8T3M8TM5NSC-290750DTXSID00175823RefChem:1098051DTXCID80983143-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one3-(4-Iodophenyl)-2-thioxo-1,3-thiazolidin-4-oneNSC290750NSC 290750
Show more names
BRN 0174079UNII-FD8T3M8TM53-(4-Iodo-phenyl)-2-thioxo-thiazolidin-4-oneSCHEMBL28802300STL418547AKOS000413314AB00098442-013-(4-Iodophenyl)-2-thioxo-1,3-thiazolidin-4-one #
Database identifiers
- CAS
21494-75-7- PubChem CID
- 100339
- DTXSID
DTXSID00175823- UNII
- FD8T3M8TM5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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