3-methoxythietane

C4H8OS — CID 643510

IUPAC3-methoxythietane
SMILESCOC1CSC1
InChIInChI=1S/C4H8OS/c1-5-4-2-6-3-4/h4H,2-3H2,1H3
InChIKeyRTZXOYWQMBKWJN-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.75
Rot. Bonds1

About 3-methoxythietane

3-methoxythietane (PubChem CID 643510) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 3-methoxythietane.

Molecular Properties

Compound Name3-methoxythietane
PubChem CID643510
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name3-methoxythietane
SMILESCOC1CSC1
InChIInChI=1S/C4H8OS/c1-5-4-2-6-3-4/h4H,2-3H2,1H3
InChIKeyRTZXOYWQMBKWJN-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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Related Compounds

Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester
CID 539987
1,3-Bis(methylthio)-2-methoxypropane
CID 520544
Carbonic acid, dithio-, O,S-diisopropyl ester
CID 536604
2-Methoxy-3-methylsulfanylbutane
CID 13461358
3,4-Dimethyloxathietane
CID 85574380
3-(Ethoxythiocarbonylthio)thietane
CID 129773511
2-Methoxy-1-methylsulfanylpropane
CID 20798623
2-[(Thietan-3-yldisulfanyl)methyl]oxirane
CID 21900924
3-Butoxythietane
CID 53873519
3-Methylsulfanyloxetane
CID 55280741
3-Methoxy-1-methylsulfanylbutane
CID 57216967
2-Methoxy-1-methylsulfanylbutane
CID 58545506

Frequently Asked Questions

What is the IUPAC name of 3-methoxythietane?
The IUPAC name of 3-methoxythietane (CID 643510) is 3-methoxythietane.
What is the SMILES notation for 3-methoxythietane?
The canonical SMILES for 3-methoxythietane is COC1CSC1.
What is the InChIKey of 3-methoxythietane?
The InChIKey is RTZXOYWQMBKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-5-4-2-6-3-4/h4H,2-3H2,1H3.
What are the key properties of 3-methoxythietane?
3-methoxythietane 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-methoxythietane is sourced from PubChem (CID 643510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).