1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone

C6H10O3S — CID 134936972

IUPAC1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone
SMILESCC(=O)[C@@]1(C)OCCS1=O
InChIInChI=1S/C6H10O3S/c1-5(7)6(2)9-3-4-10(6)8/h3-4H2,1-2H3/t6-,10?/m0/s1
InChIKeyHQZZNTARTHBRSJ-UOQJWNSWSA-N
MW162.21 g/mol
LogP0.07
Rot. Bonds1

About 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone

1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone (PubChem CID 134936972) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone
PubChem CID134936972
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone
SMILESCC(=O)[C@@]1(C)OCCS1=O
InChIInChI=1S/C6H10O3S/c1-5(7)6(2)9-3-4-10(6)8/h3-4H2,1-2H3/t6-,10?/m0/s1
InChIKeyHQZZNTARTHBRSJ-UOQJWNSWSA-N
XLogP0.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxathiolane, 2-acetyl-2-methyl-
CID 538803
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]propane-1,2-dione
CID 102005301
1-(2-Acetyl-3-oxo-1,3-oxathiolan-2-yl)ethanone
CID 102005305
3-Propan-2-yloxythiolan-2-one
CID 13351260
1-[(5R)-1,3-oxathiolan-5-yl]ethanone
CID 175925578
1-(2-Methyl-1,3-oxathiolan-2-yl)propan-1-one
CID 15304205
1-(2-Ethyl-1,3-oxathiolan-2-yl)ethanone
CID 15304206
1-Butan-2-ylsulfinyl-3-methoxypropan-2-one
CID 107511644
1-Ethylsulfinyl-3-methoxypropan-2-one
CID 107511645
1-Methoxy-3-propylsulfinylpropan-2-one
CID 107511647

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone (CID 134936972) is 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone is CC(=O)[C@@]1(C)OCCS1=O.
What is the InChIKey of 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone?
The InChIKey is HQZZNTARTHBRSJ-UOQJWNSWSA-N. The full InChI is InChI=1S/C6H10O3S/c1-5(7)6(2)9-3-4-10(6)8/h3-4H2,1-2H3/t6-,10?/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone?
1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone has a molecular weight of 162.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-3-oxo-1,3-oxathiolan-2-yl]ethanone is sourced from PubChem (CID 134936972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).