3-(methylsulfanylmethyl)oxetane

C5H10OS — CID 117032029

IUPAC3-(methylsulfanylmethyl)oxetane
SMILESCSCC1COC1
InChIInChI=1S/C5H10OS/c1-7-4-5-2-6-3-5/h5H,2-4H2,1H3
InChIKeyUIQPKGINMHIZOI-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.00
Rot. Bonds2

About 3-(methylsulfanylmethyl)oxetane

3-(methylsulfanylmethyl)oxetane (PubChem CID 117032029) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)oxetane.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)oxetane
PubChem CID117032029
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-(methylsulfanylmethyl)oxetane
SMILESCSCC1COC1
InChIInChI=1S/C5H10OS/c1-7-4-5-2-6-3-5/h5H,2-4H2,1H3
InChIKeyUIQPKGINMHIZOI-UHFFFAOYSA-N
XLogP1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-1,3-oxathiane
CID 544309
O-ethyl isobutyl xanthate
CID 121263301
Thietan-3-ylmethyl thiocarboxylate
CID 129859829
(5S)-5-methyl-1,3-oxathiane
CID 642753
1-(Ethylsulfanyl)-1-methoxy-2-methylpropane
CID 13228615
1-Methoxy-3-methylsulfanylpropane
CID 20652631
1-(Ethoxymethylsulfanyl)propane
CID 23468387
1-(2-Methoxyethylsulfanyl)-2-methylpropane
CID 52141712
3-Methylsulfanyloxetane
CID 55280741
1-(Methoxymethylsulfanyl)-2-methylpropane
CID 85776150
1-Methoxy-2-methyl-3-methylsulfanylpropane
CID 87455583
3-Methoxy-3-methylthietane
CID 89013670

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)oxetane?
The IUPAC name of 3-(methylsulfanylmethyl)oxetane (CID 117032029) is 3-(methylsulfanylmethyl)oxetane.
What is the SMILES notation for 3-(methylsulfanylmethyl)oxetane?
The canonical SMILES for 3-(methylsulfanylmethyl)oxetane is CSCC1COC1.
What is the InChIKey of 3-(methylsulfanylmethyl)oxetane?
The InChIKey is UIQPKGINMHIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-7-4-5-2-6-3-5/h5H,2-4H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)oxetane?
3-(methylsulfanylmethyl)oxetane has a molecular weight of 118.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)oxetane is sourced from PubChem (CID 117032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).