2-methylsulfanyloxetane

C4H8OS — CID 150498289

IUPAC2-methylsulfanyloxetane
SMILESCSC1CCO1
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5-4/h4H,2-3H2,1H3
InChIKeyHXGMIZRIBBGMSK-UHFFFAOYSA-N
MW104.17 g/mol
LogP1.10
Rot. Bonds1

About 2-methylsulfanyloxetane

2-methylsulfanyloxetane (PubChem CID 150498289) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-methylsulfanyloxetane.

Molecular Properties

Compound Name2-methylsulfanyloxetane
PubChem CID150498289
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-methylsulfanyloxetane
SMILESCSC1CCO1
InChIInChI=1S/C4H8OS/c1-6-4-2-3-5-4/h4H,2-3H2,1H3
InChIKeyHXGMIZRIBBGMSK-UHFFFAOYSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxythietane
CID 643510
s-Butyl o-ethyl carbonodithioate
CID 234019
O,S-Dipropyl carbonodithioate
CID 57083148
O-ethyl propylsulfanylmethanethioate
CID 234018
2-Methoxy-3-methylsulfanylbutane
CID 13461358
3-(Ethoxythiocarbonylthio)thietane
CID 129773511
Butyraldehyde dimethyl thioacetal
CID 129804412
1-(2-Ethoxyethynylsulfanyl)propane
CID 135083962
1-[(Ethylsulfanyl)methoxy]propane
CID 13115295
O-ethyl butan-2-ylsulfanylmethanethioate
CID 13837505
1-Methoxy-3-methylsulfanylpropane
CID 20652631
2-Methoxy-1-methylsulfanylpropane
CID 20798623

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyloxetane?
The IUPAC name of 2-methylsulfanyloxetane (CID 150498289) is 2-methylsulfanyloxetane.
What is the SMILES notation for 2-methylsulfanyloxetane?
The canonical SMILES for 2-methylsulfanyloxetane is CSC1CCO1.
What is the InChIKey of 2-methylsulfanyloxetane?
The InChIKey is HXGMIZRIBBGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-4-2-3-5-4/h4H,2-3H2,1H3.
What are the key properties of 2-methylsulfanyloxetane?
2-methylsulfanyloxetane has a molecular weight of 104.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxetane is sourced from PubChem (CID 150498289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).