1-methoxy-2-methyl-3-methylsulfanylpropane

C6H14OS — CID 87455583

IUPAC1-methoxy-2-methyl-3-methylsulfanylpropane
SMILESCOCC(C)CSC
InChIInChI=1S/C6H14OS/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3
InChIKeyZSULKNLGRLOEPS-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.63
Rot. Bonds4

About 1-methoxy-2-methyl-3-methylsulfanylpropane

1-methoxy-2-methyl-3-methylsulfanylpropane (PubChem CID 87455583) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-methylsulfanylpropane
PubChem CID87455583
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name1-methoxy-2-methyl-3-methylsulfanylpropane
SMILESCOCC(C)CSC
InChIInChI=1S/C6H14OS/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3
InChIKeyZSULKNLGRLOEPS-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-methoxy-2-methyl-3-methylsulfanylpropane (CID 87455583) is 1-methoxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-methoxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-methoxy-2-methyl-3-methylsulfanylpropane is COCC(C)CSC.
What is the InChIKey of 1-methoxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is ZSULKNLGRLOEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-methylsulfanylpropane?
1-methoxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 134.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 87455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).