1-(2-methyl-1,3-oxathiolan-2-yl)ethanone

C6H10O2S — CID 538803

IUPAC1-(2-methyl-1,3-oxathiolan-2-yl)ethanone
SMILESCC(=O)C1(C)OCCS1
InChIInChI=1S/C6H10O2S/c1-5(7)6(2)8-3-4-9-6/h3-4H2,1-2H3
InChIKeySYMASUKKWSFGEX-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds1

About 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone

1-(2-methyl-1,3-oxathiolan-2-yl)ethanone (PubChem CID 538803) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-oxathiolan-2-yl)ethanone
PubChem CID538803
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name1-(2-methyl-1,3-oxathiolan-2-yl)ethanone
SMILESCC(=O)C1(C)OCCS1
InChIInChI=1S/C6H10O2S/c1-5(7)6(2)8-3-4-9-6/h3-4H2,1-2H3
InChIKeySYMASUKKWSFGEX-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone (CID 538803) is 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone is CC(=O)C1(C)OCCS1.
What is the InChIKey of 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone?
The InChIKey is SYMASUKKWSFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5(7)6(2)8-3-4-9-6/h3-4H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone?
1-(2-methyl-1,3-oxathiolan-2-yl)ethanone has a molecular weight of 146.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-oxathiolan-2-yl)ethanone is sourced from PubChem (CID 538803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).