2,3-dihydro-1,4-oxathiine 4-oxide;methane

C5H10O2S — CID 70190559

IUPAC2,3-dihydro-1,4-oxathiine 4-oxide;methane
SMILESC.O=S1C=COCC1
InChIInChI=1S/C4H6O2S.CH4/c5-7-3-1-6-2-4-7;/h1,3H,2,4H2;1H4
InChIKeyQJAMNYHRAHDPGJ-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.87
Rot. Bonds

About 2,3-dihydro-1,4-oxathiine 4-oxide;methane

2,3-dihydro-1,4-oxathiine 4-oxide;methane (PubChem CID 70190559) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2,3-dihydro-1,4-oxathiine 4-oxide;methane.

Molecular Properties

Compound Name2,3-dihydro-1,4-oxathiine 4-oxide;methane
PubChem CID70190559
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2,3-dihydro-1,4-oxathiine 4-oxide;methane
SMILESC.O=S1C=COCC1
InChIInChI=1S/C4H6O2S.CH4/c5-7-3-1-6-2-4-7;/h1,3H,2,4H2;1H4
InChIKeyQJAMNYHRAHDPGJ-UHFFFAOYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Ethenesulfonyl)-2-methoxyethane
CID 59651482
2,3-Dihydro-1,4-oxathiine 4-oxide
CID 15073788
O-ethyl S-[2-(vinylsulfinyl)ethyl] carbonodi-thioate
CID 11506847
1-Ethylsulfonyl-2-methoxyethene
CID 57310650
2,3-Dihydro-1,4-oxathiine 4,4-dioxide;methane
CID 70189721
2,3-Dihydro-1,4-oxathiine 4,4-dioxide
CID 70189722
1-Ethenoxy-3-methylsulfonylpropane
CID 118629986
Methoxyvinyl Sulfoxide
CID 131721320
2,3-Dihydro-1,4-oxathiine;ethane
CID 144930351
4-Methyl-2,3-dihydro-1,4-oxathiin-4-ium
CID 164025050
2-(Ethenoxymethyl)-2-methylthiirane 1-oxide
CID 176603132
1-Ethenoxy-2-methylsulfonylethane
CID 86204989

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-oxathiine 4-oxide;methane?
The IUPAC name of 2,3-dihydro-1,4-oxathiine 4-oxide;methane (CID 70190559) is 2,3-dihydro-1,4-oxathiine 4-oxide;methane.
What is the SMILES notation for 2,3-dihydro-1,4-oxathiine 4-oxide;methane?
The canonical SMILES for 2,3-dihydro-1,4-oxathiine 4-oxide;methane is C.O=S1C=COCC1.
What is the InChIKey of 2,3-dihydro-1,4-oxathiine 4-oxide;methane?
The InChIKey is QJAMNYHRAHDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S.CH4/c5-7-3-1-6-2-4-7;/h1,3H,2,4H2;1H4.
What are the key properties of 2,3-dihydro-1,4-oxathiine 4-oxide;methane?
2,3-dihydro-1,4-oxathiine 4-oxide;methane has a molecular weight of 134.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-oxathiine 4-oxide;methane is sourced from PubChem (CID 70190559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).