3-methoxy-1-methylsulfanylbutane

C6H14OS — CID 57216967

IUPAC3-methoxy-1-methylsulfanylbutane
SMILESCOC(C)CCSC
InChIInChI=1S/C6H14OS/c1-6(7-2)4-5-8-3/h6H,4-5H2,1-3H3
InChIKeyWUZVDABUVFUHLS-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.77
Rot. Bonds4

About 3-methoxy-1-methylsulfanylbutane

3-methoxy-1-methylsulfanylbutane (PubChem CID 57216967) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 3-methoxy-1-methylsulfanylbutane.

Molecular Properties

Compound Name3-methoxy-1-methylsulfanylbutane
PubChem CID57216967
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name3-methoxy-1-methylsulfanylbutane
SMILESCOC(C)CCSC
InChIInChI=1S/C6H14OS/c1-6(7-2)4-5-8-3/h6H,4-5H2,1-3H3
InChIKeyWUZVDABUVFUHLS-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

Analyze 3-methoxy-1-methylsulfanylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylsulfanylbutane?
The IUPAC name of 3-methoxy-1-methylsulfanylbutane (CID 57216967) is 3-methoxy-1-methylsulfanylbutane.
What is the SMILES notation for 3-methoxy-1-methylsulfanylbutane?
The canonical SMILES for 3-methoxy-1-methylsulfanylbutane is COC(C)CCSC.
What is the InChIKey of 3-methoxy-1-methylsulfanylbutane?
The InChIKey is WUZVDABUVFUHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-6(7-2)4-5-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-1-methylsulfanylbutane?
3-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 3-methoxy-1-methylsulfanylbutane is sourced from PubChem (CID 57216967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).