2-methoxythiane

C6H12OS — CID 14948426

IUPAC2-methoxythiane
SMILESCOC1CCCCS1
InChIInChI=1S/C6H12OS/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
InChIKeyXANVDJSNROMCDD-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.88
Rot. Bonds1

About 2-methoxythiane

2-methoxythiane (PubChem CID 14948426) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-methoxythiane.

Molecular Properties

Compound Name2-methoxythiane
PubChem CID14948426
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-methoxythiane
SMILESCOC1CCCCS1
InChIInChI=1S/C6H12OS/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
InChIKeyXANVDJSNROMCDD-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxythiane?
The IUPAC name of 2-methoxythiane (CID 14948426) is 2-methoxythiane.
What is the SMILES notation for 2-methoxythiane?
The canonical SMILES for 2-methoxythiane is COC1CCCCS1.
What is the InChIKey of 2-methoxythiane?
The InChIKey is XANVDJSNROMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3.
What are the key properties of 2-methoxythiane?
2-methoxythiane has a molecular weight of 132.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxythiane is sourced from PubChem (CID 14948426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).