1-[(5R)-1,3-oxathiolan-5-yl]ethanone

C5H8O2S — CID 175925578

IUPAC1-[(5R)-1,3-oxathiolan-5-yl]ethanone
SMILESCC(=O)[C@@H]1CSCO1
InChIInChI=1S/C5H8O2S/c1-4(6)5-2-8-3-7-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyVLVAGBVEXLSLPX-YFKPBYRVSA-N
MW132.18 g/mol
LogP0.66
Rot. Bonds1

About 1-[(5R)-1,3-oxathiolan-5-yl]ethanone

1-[(5R)-1,3-oxathiolan-5-yl]ethanone (PubChem CID 175925578) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-[(5R)-1,3-oxathiolan-5-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-1,3-oxathiolan-5-yl]ethanone
PubChem CID175925578
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name1-[(5R)-1,3-oxathiolan-5-yl]ethanone
SMILESCC(=O)[C@@H]1CSCO1
InChIInChI=1S/C5H8O2S/c1-4(6)5-2-8-3-7-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyVLVAGBVEXLSLPX-YFKPBYRVSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

S-Methyl 2-propoxypropanethioate
CID 16205885
Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone
CID 526189
1,3-Oxathiolane, 2-acetyl-2-methyl-
CID 538803
3-Ethylsulfanyl-3-methoxybutan-2-one
CID 15473441
2-Methoxythiolan-3-one
CID 12622841
1-(1,3-Oxathiolan-2-yl)ethan-1-one
CID 12622844
1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone
CID 134936972
1-(1,3-Dithiolan-2-yl)-1-methoxypropan-2-one
CID 134985995
3-Methoxythiolan-2-one
CID 13351256
3-Propan-2-yloxythiolan-2-one
CID 13351260
2,2-Dimethyl-1,3-oxathiolane-5-carbaldehyde
CID 20673542
1-Methoxy-3-methylsulfanylpropan-2-one
CID 54180165

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-1,3-oxathiolan-5-yl]ethanone?
The IUPAC name of 1-[(5R)-1,3-oxathiolan-5-yl]ethanone (CID 175925578) is 1-[(5R)-1,3-oxathiolan-5-yl]ethanone.
What is the SMILES notation for 1-[(5R)-1,3-oxathiolan-5-yl]ethanone?
The canonical SMILES for 1-[(5R)-1,3-oxathiolan-5-yl]ethanone is CC(=O)[C@@H]1CSCO1.
What is the InChIKey of 1-[(5R)-1,3-oxathiolan-5-yl]ethanone?
The InChIKey is VLVAGBVEXLSLPX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8O2S/c1-4(6)5-2-8-3-7-5/h5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of 1-[(5R)-1,3-oxathiolan-5-yl]ethanone?
1-[(5R)-1,3-oxathiolan-5-yl]ethanone has a molecular weight of 132.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-1,3-oxathiolan-5-yl]ethanone is sourced from PubChem (CID 175925578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).