trimethyl(oxetan-2-yl)-λ4-sulfane

C6H14OS — CID 123335512

IUPACtrimethyl(oxetan-2-yl)-λ4-sulfane
SMILESCS(C)(C)C1CCO1
InChIInChI=1S/C6H14OS/c1-8(2,3)6-4-5-7-6/h6H,4-5H2,1-3H3
InChIKeyAHYLLNNFMVDART-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.43
Rot. Bonds1

About trimethyl(oxetan-2-yl)-λ4-sulfane

trimethyl(oxetan-2-yl)-λ4-sulfane (PubChem CID 123335512) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is trimethyl(oxetan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(oxetan-2-yl)-λ4-sulfane
PubChem CID123335512
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Nametrimethyl(oxetan-2-yl)-λ4-sulfane
SMILESCS(C)(C)C1CCO1
InChIInChI=1S/C6H14OS/c1-8(2,3)6-4-5-7-6/h6H,4-5H2,1-3H3
InChIKeyAHYLLNNFMVDART-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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 trimethyl(oxetan-2-yl)-λ4-sulfane?
The IUPAC name of trimethyl(oxetan-2-yl)-λ4-sulfane (CID 123335512) is trimethyl(oxetan-2-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl(oxetan-2-yl)-λ4-sulfane?
The canonical SMILES for trimethyl(oxetan-2-yl)-λ4-sulfane is CS(C)(C)C1CCO1.
What is the InChIKey of trimethyl(oxetan-2-yl)-λ4-sulfane?
The InChIKey is AHYLLNNFMVDART-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-8(2,3)6-4-5-7-6/h6H,4-5H2,1-3H3.
What are the key properties of trimethyl(oxetan-2-yl)-λ4-sulfane?
trimethyl(oxetan-2-yl)-λ4-sulfane has a molecular weight of 134.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(oxetan-2-yl)-λ4-sulfane is sourced from PubChem (CID 123335512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).