Basic information
- CAS
23522-24-9- Standard SMILES
CCOc1ccc(CCN2C(=O)C(C)SC2=S)cc1OCC- InChIKey
PBDMNLKYZPGPAT-UHFFFAOYSA-N- Molecular formula
- C16H21NO3S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.09628588
Names & identifiers
- Preferred name
- Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-
- IUPAC
- 3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
3-(3,4-Diethoxyphenethyl)-5-methylrhodanine23522-24-9Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-RefChem:3792693-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID70946264
Database identifiers
- CAS
23522-24-9- PubChem CID
- 211713
- DTXSID
DTXSID70946264
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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