2-methoxy-2-methylsulfanylpropane

C5H12OS — CID 22975969

IUPAC2-methoxy-2-methylsulfanylpropane
SMILESCOC(C)(C)SC
InChIInChI=1S/C5H12OS/c1-5(2,6-3)7-4/h1-4H3
InChIKeyHEDCGURAEDFBOA-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.73
Rot. Bonds2

About 2-methoxy-2-methylsulfanylpropane

2-methoxy-2-methylsulfanylpropane (PubChem CID 22975969) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-methoxy-2-methylsulfanylpropane.

Molecular Properties

Compound Name2-methoxy-2-methylsulfanylpropane
PubChem CID22975969
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-methoxy-2-methylsulfanylpropane
SMILESCOC(C)(C)SC
InChIInChI=1S/C5H12OS/c1-5(2,6-3)7-4/h1-4H3
InChIKeyHEDCGURAEDFBOA-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methoxy-2-methylsulfanylpropane?
The IUPAC name of 2-methoxy-2-methylsulfanylpropane (CID 22975969) is 2-methoxy-2-methylsulfanylpropane.
What is the SMILES notation for 2-methoxy-2-methylsulfanylpropane?
The canonical SMILES for 2-methoxy-2-methylsulfanylpropane is COC(C)(C)SC.
What is the InChIKey of 2-methoxy-2-methylsulfanylpropane?
The InChIKey is HEDCGURAEDFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-5(2,6-3)7-4/h1-4H3.
What are the key properties of 2-methoxy-2-methylsulfanylpropane?
2-methoxy-2-methylsulfanylpropane has a molecular weight of 120.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylsulfanylpropane is sourced from PubChem (CID 22975969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).