3-ethyl-3-(methylsulfanylmethyl)oxetane

C7H14OS — CID 154620411

IUPAC3-ethyl-3-(methylsulfanylmethyl)oxetane
SMILESCCC1(CSC)COC1
InChIInChI=1S/C7H14OS/c1-3-7(6-9-2)4-8-5-7/h3-6H2,1-2H3
InChIKeyWSZAAICQPRRVBC-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.78
Rot. Bonds3

About 3-ethyl-3-(methylsulfanylmethyl)oxetane

3-ethyl-3-(methylsulfanylmethyl)oxetane (PubChem CID 154620411) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-ethyl-3-(methylsulfanylmethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(methylsulfanylmethyl)oxetane
PubChem CID154620411
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-ethyl-3-(methylsulfanylmethyl)oxetane
SMILESCCC1(CSC)COC1
InChIInChI=1S/C7H14OS/c1-3-7(6-9-2)4-8-5-7/h3-6H2,1-2H3
InChIKeyWSZAAICQPRRVBC-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-Dimethyl-1,3-oxathiepane
CID 18723273
4-Tert-butyl-1,3-oxathiolane
CID 59536704
7-Oxa-2-thiaspiro[3.4]octane
CID 66760140
3-Ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane
CID 70796621
2-Oxa-6-thiaspiro[3.4]octane
CID 118210159
3-Methyl-3-(2-methylsulfanylpropyl)oxetane
CID 123705438
3-Methyl-3-(methylsulfanylmethyl)oxetane
CID 129940383
3-(3,3-Dimethylbutylsulfanylmethyl)-3-methyloxetane
CID 139320655
(3-Ethylthietan-3-yl)methanol
CID 141475028
3-(Methoxymethyl)-3-propan-2-ylthietane
CID 167542491
3-(Ethenoxymethyl)-3-ethylthietane
CID 176604120
3-(2-Ethenoxyethyl)-3-methylthietane
CID 176604958

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(methylsulfanylmethyl)oxetane?
The IUPAC name of 3-ethyl-3-(methylsulfanylmethyl)oxetane (CID 154620411) is 3-ethyl-3-(methylsulfanylmethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(methylsulfanylmethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(methylsulfanylmethyl)oxetane is CCC1(CSC)COC1.
What is the InChIKey of 3-ethyl-3-(methylsulfanylmethyl)oxetane?
The InChIKey is WSZAAICQPRRVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-7(6-9-2)4-8-5-7/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-3-(methylsulfanylmethyl)oxetane?
3-ethyl-3-(methylsulfanylmethyl)oxetane has a molecular weight of 146.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(methylsulfanylmethyl)oxetane is sourced from PubChem (CID 154620411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).