2-methoxy-1-methylsulfanylbutane

C6H14OS — CID 58545506

IUPAC2-methoxy-1-methylsulfanylbutane
SMILESCCC(CSC)OC
InChIInChI=1S/C6H14OS/c1-4-6(7-2)5-8-3/h6H,4-5H2,1-3H3
InChIKeyUZARWSNDQBFVFD-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.77
Rot. Bonds4

About 2-methoxy-1-methylsulfanylbutane

2-methoxy-1-methylsulfanylbutane (PubChem CID 58545506) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methoxy-1-methylsulfanylbutane.

Molecular Properties

Compound Name2-methoxy-1-methylsulfanylbutane
PubChem CID58545506
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methoxy-1-methylsulfanylbutane
SMILESCCC(CSC)OC
InChIInChI=1S/C6H14OS/c1-4-6(7-2)5-8-3/h6H,4-5H2,1-3H3
InChIKeyUZARWSNDQBFVFD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylsulfanylbutane?
The IUPAC name of 2-methoxy-1-methylsulfanylbutane (CID 58545506) is 2-methoxy-1-methylsulfanylbutane.
What is the SMILES notation for 2-methoxy-1-methylsulfanylbutane?
The canonical SMILES for 2-methoxy-1-methylsulfanylbutane is CCC(CSC)OC.
What is the InChIKey of 2-methoxy-1-methylsulfanylbutane?
The InChIKey is UZARWSNDQBFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-4-6(7-2)5-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-1-methylsulfanylbutane?
2-methoxy-1-methylsulfanylbutane has a molecular weight of 134.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylsulfanylbutane is sourced from PubChem (CID 58545506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).