3-methoxy-3-methylthietane

C5H10OS — CID 89013670

IUPAC3-methoxy-3-methylthietane
SMILESCOC1(C)CSC1
InChIInChI=1S/C5H10OS/c1-5(6-2)3-7-4-5/h3-4H2,1-2H3
InChIKeyXPMJAWLFMJYYQY-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.14
Rot. Bonds1

About 3-methoxy-3-methylthietane

3-methoxy-3-methylthietane (PubChem CID 89013670) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-methoxy-3-methylthietane.

Molecular Properties

Compound Name3-methoxy-3-methylthietane
PubChem CID89013670
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-methoxy-3-methylthietane
SMILESCOC1(C)CSC1
InChIInChI=1S/C5H10OS/c1-5(6-2)3-7-4-5/h3-4H2,1-2H3
InChIKeyXPMJAWLFMJYYQY-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylthietane?
The IUPAC name of 3-methoxy-3-methylthietane (CID 89013670) is 3-methoxy-3-methylthietane.
What is the SMILES notation for 3-methoxy-3-methylthietane?
The canonical SMILES for 3-methoxy-3-methylthietane is COC1(C)CSC1.
What is the InChIKey of 3-methoxy-3-methylthietane?
The InChIKey is XPMJAWLFMJYYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5(6-2)3-7-4-5/h3-4H2,1-2H3.
What are the key properties of 3-methoxy-3-methylthietane?
3-methoxy-3-methylthietane has a molecular weight of 118.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylthietane is sourced from PubChem (CID 89013670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).