CID 6753637
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Basic information
- CAS
401822-27-3- Standard SMILES
CCN=C1SC(=Cc2c[nH]c3ccccc23)C(=O)N1CC- InChIKey
HXKRHEKUJNAFKU-UHFFFAOYSA-N- Molecular formula
- C16H17N3OS
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.10923335
Names & identifiers
- Preferred name
- CID 6753637
- IUPAC
- 3-ethyl-2-ethylimino-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidin-4-one
- English name
- 3-ethyl-2-(ethylimino)-5-(1H-indol-3-ylmethylene)-1,3-thiazolidin-4-one
- Molecular formula
- C16H17N3OS
- Molecular weight
- 299.39
Names & synonyms
3-ethyl-2-(ethylimino)-5-(1H-indol-3-ylmethylene)-1,3-thiazolidin-4-one
Database identifiers
- CAS
401822-27-3- PubChem CID
- 6753637
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 494.744 · 494.744±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.274 · 1.274±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.629 · 15.629±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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