2-ethoxy-2-methyl-1-methylsulfanylpropane

C7H16OS — CID 20798622

IUPAC2-ethoxy-2-methyl-1-methylsulfanylpropane
SMILESCCOC(C)(C)CSC
InChIInChI=1S/C7H16OS/c1-5-8-7(2,3)6-9-4/h5-6H2,1-4H3
InChIKeyGVOFBBFCBUWGMF-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.16
Rot. Bonds4

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

2-ethoxy-2-methyl-1-methylsulfanylpropane (PubChem CID 20798622) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-methylsulfanylpropane.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-methylsulfanylpropane
PubChem CID20798622
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-ethoxy-2-methyl-1-methylsulfanylpropane
SMILESCCOC(C)(C)CSC
InChIInChI=1S/C7H16OS/c1-5-8-7(2,3)6-9-4/h5-6H2,1-4H3
InChIKeyGVOFBBFCBUWGMF-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Tert-butoxy)propane-1-thiol
CID 80014310
1-Ethoxy-4-methylsulfanylbutane
CID 54104261
Butyraldehyde di-t-butyl thioacetal
CID 129804305
(5R)-2,2,5-trimethyl-1,4-oxathiane
CID 11804906
2,2-Dimethyl-1,4-oxathiane
CID 12616436
2-[(2-Methylpropan-2-yl)oxymethyl]thiirane
CID 13696352
1-(2-Ethoxyethylsulfanyl)propane
CID 20744740
2-Methoxy-2-methyl-1-methylsulfanylpropane
CID 21613151
2-Methyl-1-(2-methylsulfanylethoxy)propane
CID 23568651
1-Methylsulfanyl-3-propoxypropane
CID 54436238
1-Ethoxy-3-methylsulfanylpropane
CID 57579335
2-(2-Tert-butylsulfanylethoxy)-2-methylpropane
CID 57887445

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-methylsulfanylpropane?
The IUPAC name of 2-ethoxy-2-methyl-1-methylsulfanylpropane (CID 20798622) is 2-ethoxy-2-methyl-1-methylsulfanylpropane.
What is the SMILES notation for 2-ethoxy-2-methyl-1-methylsulfanylpropane?
The canonical SMILES for 2-ethoxy-2-methyl-1-methylsulfanylpropane is CCOC(C)(C)CSC.
What is the InChIKey of 2-ethoxy-2-methyl-1-methylsulfanylpropane?
The InChIKey is GVOFBBFCBUWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-5-8-7(2,3)6-9-4/h5-6H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-methylsulfanylpropane?
2-ethoxy-2-methyl-1-methylsulfanylpropane has a molecular weight of 148.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-methylsulfanylpropane is sourced from PubChem (CID 20798622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).