(5Z)-5-(1-hydroxypropylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
51216-25-2- Standard SMILES
CCCn1c(O)c(C(=O)CC)sc1=S- InChIKey
MQUVTQHRYIXOLA-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.038771
Names & identifiers
- Preferred name
- (5Z)-5-(1-hydroxypropylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 1-(4-hydroxy-3-propyl-2-sulfanylidene-1,3-thiazol-5-yl)propan-1-one
Names & synonyms
51216-25-2NSC234941DTXSID80715640NSC-234941(5Z)-5-(1-hydroxypropylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
51216-25-2- PubChem CID
- 314835
- DTXSID
DTXSID80715640
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…