1-ethoxy-2-methyl-1-methylsulfanylpropane

C7H16OS — CID 118501631

IUPAC1-ethoxy-2-methyl-1-methylsulfanylpropane
SMILESCCOC(SC)C(C)C
InChIInChI=1S/C7H16OS/c1-5-8-7(9-4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyDDTQADOAPGAHDA-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.37
Rot. Bonds4

About 1-ethoxy-2-methyl-1-methylsulfanylpropane

1-ethoxy-2-methyl-1-methylsulfanylpropane (PubChem CID 118501631) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-1-methylsulfanylpropane.

Molecular Properties

Compound Name1-ethoxy-2-methyl-1-methylsulfanylpropane
PubChem CID118501631
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-ethoxy-2-methyl-1-methylsulfanylpropane
SMILESCCOC(SC)C(C)C
InChIInChI=1S/C7H16OS/c1-5-8-7(9-4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyDDTQADOAPGAHDA-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.37
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 1-ethoxy-2-methyl-1-methylsulfanylpropane?
The IUPAC name of 1-ethoxy-2-methyl-1-methylsulfanylpropane (CID 118501631) is 1-ethoxy-2-methyl-1-methylsulfanylpropane.
What is the SMILES notation for 1-ethoxy-2-methyl-1-methylsulfanylpropane?
The canonical SMILES for 1-ethoxy-2-methyl-1-methylsulfanylpropane is CCOC(SC)C(C)C.
What is the InChIKey of 1-ethoxy-2-methyl-1-methylsulfanylpropane?
The InChIKey is DDTQADOAPGAHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-5-8-7(9-4)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethoxy-2-methyl-1-methylsulfanylpropane?
1-ethoxy-2-methyl-1-methylsulfanylpropane has a molecular weight of 148.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methyl-1-methylsulfanylpropane is sourced from PubChem (CID 118501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).