Basic information
- CAS
15216-29-2- Standard SMILES
C=CCC1CNC(=S)O1- InChIKey
QEKDLBSHZCJKRO-UHFFFAOYSA-N- Molecular formula
- C6H9NOS
- Average molar mass
- 143.21 g/mol
- Monoisotopic mass
- 143.04048508
Overview
(-)-5-(2-Propenyl)-2-oxazolidinethione is an oxazole.
Names & identifiers
- Preferred name
- (-)-5-(2-Propenyl)-2-oxazolidinethione
- IUPAC
- 5-prop-2-enyl-1,3-oxazolidine-2-thione
Names & synonyms
68831-68-5(-)-5-(2-Propenyl)-2-oxazolidinethione2-Oxazolidinethione, 5-(2-propenyl)-5-prop-2-enyl-1,3-oxazolidine-2-thione5-allyl-2-oxazolidinethioneOxazolidinethione Impurity 35-(prop-2-en-1-yl)-1,3-oxazolidine-2-thioneDTXSID40988535CHEBI:193655AKOS0063593245-(Prop-2-en-1-yl)-4,5-dihydro-1,3-oxazole-2-thiol
Database identifiers
- CAS
15216-29-2、68831-68-5- PubChem CID
- 3036745
- DTXSID
DTXSID40988535- ChEBI
CHEBI:193655- Nikkaji
- J2.363.395G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Melting Point60 - 61 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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