2-[3,3-Di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
Basic information
- CAS
36702-83-7- Standard SMILES
CC(NCC=C(c1ccsc1)c1ccsc1)C(O)c1ccccc1- InChIKey
JQSHEDRVRBSFCZ-UHFFFAOYSA-N- Molecular formula
- C20H21NOS2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.10645664
Names & identifiers
- Preferred name
- 2-[3,3-Di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
- IUPAC
- 2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
- English name
- tinofedrine
- Molecular formula
- C20H21NOS2
- Molecular weight
- 355.52
Names & synonyms
36702-83-7D 8955SCHEMBL11544008Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-TinofedrinNovocebrin(1-(3,3-Di(thien-3-ylallyl)amino)ethyl)benzyl alcoholBenzenemethanol, α-[1-[(3,3-di-3-thienyl-2-propen-1-yl)amino]ethyl]-
Database identifiers
- CAS
36702-83-7- PubChem CID
- 48037
- Nikkaji
- J365.285H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Chemistry & industry
Applications
DescriptionTinofedrine Free Base is a vasodilator.
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Related reactions
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Compound notes
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