Basic information
- CAS
230309-03-2- Standard SMILES
O=C(c1cccnc1)N1C(=S)SC[C@@H]1c1ccccc1- InChIKey
UQSUQIIZHZDEML-CYBMUJFWSA-N- Molecular formula
- C15H12N2OS2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.03910536
Names & identifiers
- Preferred name
- Ctk0I8132
- IUPAC
- [(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone
Names & synonyms
CTK0I8132230309-03-2DTXSID60469295RefChem:334569DTXCID10420114[(4S)-4-Phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl](pyridin-3-yl)methanone
Database identifiers
- CAS
230309-03-2- PubChem CID
- 11601852
- DTXSID
DTXSID60469295- Nikkaji
- J1.106.525B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…