Basic information
- CAS
23517-45-5- Standard SMILES
CC1SC(=S)N(c2ccc(I)cc2)C1=O- InChIKey
DADXDQGOZNXDAW-UHFFFAOYSA-N- Molecular formula
- C10H8INOS2
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 348.9092
Names & identifiers
- Preferred name
- Rhodanine, 3-(p-iodophenyl)-5-methyl-
- IUPAC
- 3-(4-iodophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23517-45-5Rhodanine, 3-(p-iodophenyl)-5-methyl-RefChem:10980523-(p-Iodophenyl)-5-methylrhodanine3-(4-iodophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID60946238
Database identifiers
- CAS
23517-45-5- PubChem CID
- 211686
- DTXSID
DTXSID60946238
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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