2-methoxy-1-methylsulfanylpropane

C5H12OS — CID 20798623

IUPAC2-methoxy-1-methylsulfanylpropane
SMILESCOC(C)CSC
InChIInChI=1S/C5H12OS/c1-5(6-2)4-7-3/h5H,4H2,1-3H3
InChIKeyZOJQMTXIZHFELU-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.38
Rot. Bonds3

About 2-methoxy-1-methylsulfanylpropane

2-methoxy-1-methylsulfanylpropane (PubChem CID 20798623) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-methoxy-1-methylsulfanylpropane.

Molecular Properties

Compound Name2-methoxy-1-methylsulfanylpropane
PubChem CID20798623
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-methoxy-1-methylsulfanylpropane
SMILESCOC(C)CSC
InChIInChI=1S/C5H12OS/c1-5(6-2)4-7-3/h5H,4H2,1-3H3
InChIKeyZOJQMTXIZHFELU-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylsulfanylpropane?
The IUPAC name of 2-methoxy-1-methylsulfanylpropane (CID 20798623) is 2-methoxy-1-methylsulfanylpropane.
What is the SMILES notation for 2-methoxy-1-methylsulfanylpropane?
The canonical SMILES for 2-methoxy-1-methylsulfanylpropane is COC(C)CSC.
What is the InChIKey of 2-methoxy-1-methylsulfanylpropane?
The InChIKey is ZOJQMTXIZHFELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-5(6-2)4-7-3/h5H,4H2,1-3H3.
What are the key properties of 2-methoxy-1-methylsulfanylpropane?
2-methoxy-1-methylsulfanylpropane has a molecular weight of 120.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylsulfanylpropane is sourced from PubChem (CID 20798623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).