Basic information
- CAS
39137-08-1- Standard SMILES
O=C1CSC(=S)N1CCO- InChIKey
CRZFCRBTBASOGJ-UHFFFAOYSA-N- Molecular formula
- C5H7NO2S2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 176.99182046
Names & identifiers
- Preferred name
- 3-(2-Hydroxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-(2-hydroxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
39137-08-13-(2-Hydroxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-oneN-(2-hydroxyethyl)rhodanineSCHEMBL4579359DTXSID30496518CRZFCRBTBASOGJ-UHFFFAOYSA-NAKOS027461335
Database identifiers
- CAS
39137-08-1- PubChem CID
- 12401835
- DTXSID
DTXSID30496518- Nikkaji
- J3.106.417A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Related reactions
2 records
Compound notes
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