3-methylsulfanyloxetane

C4H8OS — CID 55280741

IUPAC3-methylsulfanyloxetane
SMILESCSC1COC1
InChIInChI=1S/C4H8OS/c1-6-4-2-5-3-4/h4H,2-3H2,1H3
InChIKeyDSBLNGNIKQEOSV-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.75
Rot. Bonds1

About 3-methylsulfanyloxetane

3-methylsulfanyloxetane (PubChem CID 55280741) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 3-methylsulfanyloxetane.

Molecular Properties

Compound Name3-methylsulfanyloxetane
PubChem CID55280741
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name3-methylsulfanyloxetane
SMILESCSC1COC1
InChIInChI=1S/C4H8OS/c1-6-4-2-5-3-4/h4H,2-3H2,1H3
InChIKeyDSBLNGNIKQEOSV-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyloxetane?
The IUPAC name of 3-methylsulfanyloxetane (CID 55280741) is 3-methylsulfanyloxetane.
What is the SMILES notation for 3-methylsulfanyloxetane?
The canonical SMILES for 3-methylsulfanyloxetane is CSC1COC1.
What is the InChIKey of 3-methylsulfanyloxetane?
The InChIKey is DSBLNGNIKQEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-4-2-5-3-4/h4H,2-3H2,1H3.
What are the key properties of 3-methylsulfanyloxetane?
3-methylsulfanyloxetane has a molecular weight of 104.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyloxetane is sourced from PubChem (CID 55280741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).