Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-
Basic information
- CAS
59921-85-6- Standard SMILES
CSc1ccc(C(=O)CCCN2CCCC2)cc1- InChIKey
XIDCYMLWJVYVFN-UHFFFAOYSA-N- Molecular formula
- C15H21NOS
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.13438547
Names & identifiers
- Preferred name
- Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-
- IUPAC
- 1-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Names & synonyms
4'-Methylthio-4-(pyrrolidinyl)butyrophenoneBUTYROPHENONE, 4'-METHYLTHIO-4-(1-PYRROLIDINYL)-RefChem:33144059921-85-6DTXSID609753461-[4-(Methylsulfanyl)phenyl]-4-(pyrrolidin-1-yl)butan-1-one
Database identifiers
- CAS
59921-85-6- PubChem CID
- 43133
- DTXSID
DTXSID60975346- Nikkaji
- J67.483D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…