2-methoxy-3-methylsulfanylbutane

C6H14OS — CID 13461358

IUPAC2-methoxy-3-methylsulfanylbutane
SMILESCOC(C)C(C)SC
InChIInChI=1S/C6H14OS/c1-5(7-3)6(2)8-4/h5-6H,1-4H3
InChIKeyVCSLCFCNAPANEU-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.77
Rot. Bonds3

About 2-methoxy-3-methylsulfanylbutane

2-methoxy-3-methylsulfanylbutane (PubChem CID 13461358) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methoxy-3-methylsulfanylbutane.

Molecular Properties

Compound Name2-methoxy-3-methylsulfanylbutane
PubChem CID13461358
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methoxy-3-methylsulfanylbutane
SMILESCOC(C)C(C)SC
InChIInChI=1S/C6H14OS/c1-5(7-3)6(2)8-4/h5-6H,1-4H3
InChIKeyVCSLCFCNAPANEU-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-3-methylsulfanylbutane?
The IUPAC name of 2-methoxy-3-methylsulfanylbutane (CID 13461358) is 2-methoxy-3-methylsulfanylbutane.
What is the SMILES notation for 2-methoxy-3-methylsulfanylbutane?
The canonical SMILES for 2-methoxy-3-methylsulfanylbutane is COC(C)C(C)SC.
What is the InChIKey of 2-methoxy-3-methylsulfanylbutane?
The InChIKey is VCSLCFCNAPANEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(7-3)6(2)8-4/h5-6H,1-4H3.
What are the key properties of 2-methoxy-3-methylsulfanylbutane?
2-methoxy-3-methylsulfanylbutane has a molecular weight of 134.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylsulfanylbutane is sourced from PubChem (CID 13461358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).