1,1-dimethoxy-2-methylsulfanylpropane

C6H14O2S — CID 10419359

IUPAC1,1-dimethoxy-2-methylsulfanylpropane
SMILESCOC(OC)C(C)SC
InChIInChI=1S/C6H14O2S/c1-5(9-4)6(7-2)8-3/h5-6H,1-4H3
InChIKeyKOVROSFEGDMYFL-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.36
Rot. Bonds4

About 1,1-dimethoxy-2-methylsulfanylpropane

1,1-dimethoxy-2-methylsulfanylpropane (PubChem CID 10419359) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methylsulfanylpropane.

Molecular Properties

Compound Name1,1-dimethoxy-2-methylsulfanylpropane
PubChem CID10419359
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name1,1-dimethoxy-2-methylsulfanylpropane
SMILESCOC(OC)C(C)SC
InChIInChI=1S/C6H14O2S/c1-5(9-4)6(7-2)8-3/h5-6H,1-4H3
InChIKeyKOVROSFEGDMYFL-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methylsulfanylpropane?
The IUPAC name of 1,1-dimethoxy-2-methylsulfanylpropane (CID 10419359) is 1,1-dimethoxy-2-methylsulfanylpropane.
What is the SMILES notation for 1,1-dimethoxy-2-methylsulfanylpropane?
The canonical SMILES for 1,1-dimethoxy-2-methylsulfanylpropane is COC(OC)C(C)SC.
What is the InChIKey of 1,1-dimethoxy-2-methylsulfanylpropane?
The InChIKey is KOVROSFEGDMYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-5(9-4)6(7-2)8-3/h5-6H,1-4H3.
What are the key properties of 1,1-dimethoxy-2-methylsulfanylpropane?
1,1-dimethoxy-2-methylsulfanylpropane has a molecular weight of 150.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methylsulfanylpropane is sourced from PubChem (CID 10419359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).