3-Benzyl-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
21494-71-3- Standard SMILES
CCCCC1SC(=S)N(Cc2ccccc2)C1=O- InChIKey
LRPITLJOWHPPNV-UHFFFAOYSA-N- Molecular formula
- C14H17NOS2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.07515651
Names & identifiers
- Preferred name
- 3-Benzyl-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-benzyl-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
21494-71-3DTXSID809440993-benzyl-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-oneRefChem:1067383DTXCID0013724523-Benzyl-5-butylrhodanineBRN 0807239Rhodanine, 3-benzyl-5-butyl-
Database identifiers
- CAS
21494-71-3- PubChem CID
- 210689
- DTXSID
DTXSID80944099
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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