2-methoxy-1-(thiolan-2-yl)ethanone

C7H12O2S — CID 80621580

IUPAC2-methoxy-1-(thiolan-2-yl)ethanone
SMILESCOCC(=O)C1CCCS1
InChIInChI=1S/C7H12O2S/c1-9-5-6(8)7-3-2-4-10-7/h7H,2-5H2,1H3
InChIKeyRXYHOXAVCOFLHI-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.10
Rot. Bonds3

About 2-methoxy-1-(thiolan-2-yl)ethanone

2-methoxy-1-(thiolan-2-yl)ethanone (PubChem CID 80621580) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-methoxy-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(thiolan-2-yl)ethanone
PubChem CID80621580
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-methoxy-1-(thiolan-2-yl)ethanone
SMILESCOCC(=O)C1CCCS1
InChIInChI=1S/C7H12O2S/c1-9-5-6(8)7-3-2-4-10-7/h7H,2-5H2,1H3
InChIKeyRXYHOXAVCOFLHI-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(thiolan-2-yl)ethanone (CID 80621580) is 2-methoxy-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(thiolan-2-yl)ethanone is COCC(=O)C1CCCS1.
What is the InChIKey of 2-methoxy-1-(thiolan-2-yl)ethanone?
The InChIKey is RXYHOXAVCOFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-9-5-6(8)7-3-2-4-10-7/h7H,2-5H2,1H3.
What are the key properties of 2-methoxy-1-(thiolan-2-yl)ethanone?
2-methoxy-1-(thiolan-2-yl)ethanone has a molecular weight of 160.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 80621580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).