2-methyl-1-(2-methylsulfanylethoxy)propane

C7H16OS — CID 23568651

IUPAC2-methyl-1-(2-methylsulfanylethoxy)propane
SMILESCSCCOCC(C)C
InChIInChI=1S/C7H16OS/c1-7(2)6-8-4-5-9-3/h7H,4-6H2,1-3H3
InChIKeyGLTIOINHEZHEFG-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.02
Rot. Bonds5

About 2-methyl-1-(2-methylsulfanylethoxy)propane

2-methyl-1-(2-methylsulfanylethoxy)propane (PubChem CID 23568651) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylethoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylethoxy)propane
PubChem CID23568651
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-methyl-1-(2-methylsulfanylethoxy)propane
SMILESCSCCOCC(C)C
InChIInChI=1S/C7H16OS/c1-7(2)6-8-4-5-9-3/h7H,4-6H2,1-3H3
InChIKeyGLTIOINHEZHEFG-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylethoxy)propane?
The IUPAC name of 2-methyl-1-(2-methylsulfanylethoxy)propane (CID 23568651) is 2-methyl-1-(2-methylsulfanylethoxy)propane.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylethoxy)propane?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylethoxy)propane is CSCCOCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylethoxy)propane?
The InChIKey is GLTIOINHEZHEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-7(2)6-8-4-5-9-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylethoxy)propane?
2-methyl-1-(2-methylsulfanylethoxy)propane has a molecular weight of 148.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanylethoxy)propane is sourced from PubChem (CID 23568651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).