2-methoxy-1,3-bis(methylsulfanyl)propane

C6H14OS2 — CID 520544

IUPAC2-methoxy-1,3-bis(methylsulfanyl)propane
SMILESCOC(CSC)CSC
InChIInChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3
InChIKeyMOISORXUYSHXRU-UHFFFAOYSA-N
MW166.31 g/mol
LogP1.73
Rot. Bonds5

About 2-methoxy-1,3-bis(methylsulfanyl)propane

2-methoxy-1,3-bis(methylsulfanyl)propane (PubChem CID 520544) has the molecular formula C6H14OS2 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methoxy-1,3-bis(methylsulfanyl)propane.

Molecular Properties

Compound Name2-methoxy-1,3-bis(methylsulfanyl)propane
PubChem CID520544
Molecular FormulaC6H14OS2
Molecular Weight166.31 g/mol
Exact Mass166.05
IUPAC Name2-methoxy-1,3-bis(methylsulfanyl)propane
SMILESCOC(CSC)CSC
InChIInChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3
InChIKeyMOISORXUYSHXRU-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-bis(methylsulfanyl)propane?
The IUPAC name of 2-methoxy-1,3-bis(methylsulfanyl)propane (CID 520544) is 2-methoxy-1,3-bis(methylsulfanyl)propane.
What is the SMILES notation for 2-methoxy-1,3-bis(methylsulfanyl)propane?
The canonical SMILES for 2-methoxy-1,3-bis(methylsulfanyl)propane is COC(CSC)CSC.
What is the InChIKey of 2-methoxy-1,3-bis(methylsulfanyl)propane?
The InChIKey is MOISORXUYSHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-1,3-bis(methylsulfanyl)propane?
2-methoxy-1,3-bis(methylsulfanyl)propane has a molecular weight of 166.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-bis(methylsulfanyl)propane is sourced from PubChem (CID 520544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).