3-ethyl-3-methylsulfanyloxetane

C6H12OS — CID 170732274

IUPAC3-ethyl-3-methylsulfanyloxetane
SMILESCCC1(SC)COC1
InChIInChI=1S/C6H12OS/c1-3-6(8-2)4-7-5-6/h3-5H2,1-2H3
InChIKeyWCZRMDNWDSSUHV-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds2

About 3-ethyl-3-methylsulfanyloxetane

3-ethyl-3-methylsulfanyloxetane (PubChem CID 170732274) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-ethyl-3-methylsulfanyloxetane.

Molecular Properties

Compound Name3-ethyl-3-methylsulfanyloxetane
PubChem CID170732274
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-ethyl-3-methylsulfanyloxetane
SMILESCCC1(SC)COC1
InChIInChI=1S/C6H12OS/c1-3-6(8-2)4-7-5-6/h3-5H2,1-2H3
InChIKeyWCZRMDNWDSSUHV-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-1,3-oxathiane
CID 18539818
3-(Methylsulfanylmethyl)oxetane
CID 117032029
Trimethyl(oxetan-2-yl)-lambda4-sulfane
CID 123335512
3-Methyl-3-(methylsulfanylmethyl)oxetane
CID 129940383
2-Methylsulfanyloxetane
CID 150498289
3-(Methoxymethyl)thietane
CID 153822287
3-Ethyl-3-(methylsulfanylmethyl)oxetane
CID 154620411
Ethane;3-ethyl-3-methylsulfanyloxetane
CID 170732273
1-Methoxy-3-methyl-3-methylsulfanylbutane
CID 102301237

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylsulfanyloxetane?
The IUPAC name of 3-ethyl-3-methylsulfanyloxetane (CID 170732274) is 3-ethyl-3-methylsulfanyloxetane.
What is the SMILES notation for 3-ethyl-3-methylsulfanyloxetane?
The canonical SMILES for 3-ethyl-3-methylsulfanyloxetane is CCC1(SC)COC1.
What is the InChIKey of 3-ethyl-3-methylsulfanyloxetane?
The InChIKey is WCZRMDNWDSSUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-6(8-2)4-7-5-6/h3-5H2,1-2H3.
What are the key properties of 3-ethyl-3-methylsulfanyloxetane?
3-ethyl-3-methylsulfanyloxetane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylsulfanyloxetane is sourced from PubChem (CID 170732274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).