(5S)-5-(2-Propen-1-yl)-2-oxazolidinethione

Details

• Internal ID: b7fe137f-9f5b-41aa-b3ac-b79858548996
• Taxonomy: Organoheterocyclic compounds > Azolidines > Oxazolidines
• IUPAC Name: (5S)-5-prop-2-enyl-1,3-oxazolidine-2-thione
• SMILES (Canonical): C=CCC1CNC(=S)O1
• SMILES (Isomeric): C=CC[C@H]1CNC(=S)O1
• InChI: InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)/t5-/m0/s1
• InChI Key: QEKDLBSHZCJKRO-YFKPBYRVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₉NOS
• Molecular Weight: 143.21 g/mol
• Exact Mass: 143.04048508 g/mol
• Topological Polar Surface Area (TPSA): 53.40 Ų
• XlogP: 1.50

Synonyms

• AKOS006354376
• (5S)-5-(2-Propen-1-yl)-2-oxazolidinethione
• 15216-29-2

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.14%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.50%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.96%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.47%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.17%	89.34%
CHEMBL4530	P00488	Coagulation factor XIII	82.54%	96.00%
CHEMBL255	P29275	Adenosine A2b receptor	80.26%	98.59%
CHEMBL3401	O75469	Pregnane X receptor	80.26%	94.73%
CHEMBL3310	Q96DB2	Histone deacetylase 11	80.07%	88.56%
CHEMBL1907589	P17787	Neuronal acetylcholine receptor; alpha4/beta2	80.02%	94.55%

Plants that contains it

• Brassica napus

Cross-Links

• PubChem: 55286434
• LOTUS: LTS0219109
• wikiData: Q105219259