2-methoxythiolan-3-one

C5H8O2S — CID 12622841

IUPAC2-methoxythiolan-3-one
SMILESCOC1SCCC1=O
InChIInChI=1S/C5H8O2S/c1-7-5-4(6)2-3-8-5/h5H,2-3H2,1H3
InChIKeyHEFGJAYXCLKFIP-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.66
Rot. Bonds1

About 2-methoxythiolan-3-one

2-methoxythiolan-3-one (PubChem CID 12622841) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-methoxythiolan-3-one.

Molecular Properties

Compound Name2-methoxythiolan-3-one
PubChem CID12622841
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name2-methoxythiolan-3-one
SMILESCOC1SCCC1=O
InChIInChI=1S/C5H8O2S/c1-7-5-4(6)2-3-8-5/h5H,2-3H2,1H3
InChIKeyHEFGJAYXCLKFIP-UHFFFAOYSA-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

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
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
2,4-Dimethyl-2-methoxy-tetrahydrothiophen-3-one
CID 19431996
2,2-Dimethyl-1,3-oxathiolane-5-carbaldehyde
CID 20673542
Methyl (3-oxothiolan-2-yl) carbonate
CID 21805142
1-Methoxy-3-methylsulfanylpropan-2-one
CID 54180165

Frequently Asked Questions

What is the IUPAC name of 2-methoxythiolan-3-one?
The IUPAC name of 2-methoxythiolan-3-one (CID 12622841) is 2-methoxythiolan-3-one.
What is the SMILES notation for 2-methoxythiolan-3-one?
The canonical SMILES for 2-methoxythiolan-3-one is COC1SCCC1=O.
What is the InChIKey of 2-methoxythiolan-3-one?
The InChIKey is HEFGJAYXCLKFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-7-5-4(6)2-3-8-5/h5H,2-3H2,1H3.
What are the key properties of 2-methoxythiolan-3-one?
2-methoxythiolan-3-one 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 2-methoxythiolan-3-one is sourced from PubChem (CID 12622841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).