1-ethoxy-1-methylsulfanylethane

C5H12OS — CID 18710050

IUPAC1-ethoxy-1-methylsulfanylethane
SMILESCCOC(C)SC
InChIInChI=1S/C5H12OS/c1-4-6-5(2)7-3/h5H,4H2,1-3H3
InChIKeyCIZDUCZVNBWFRD-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.73
Rot. Bonds3

About 1-ethoxy-1-methylsulfanylethane

1-ethoxy-1-methylsulfanylethane (PubChem CID 18710050) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 1-ethoxy-1-methylsulfanylethane.

Molecular Properties

Compound Name1-ethoxy-1-methylsulfanylethane
PubChem CID18710050
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name1-ethoxy-1-methylsulfanylethane
SMILESCCOC(C)SC
InChIInChI=1S/C5H12OS/c1-4-6-5(2)7-3/h5H,4H2,1-3H3
InChIKeyCIZDUCZVNBWFRD-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine
CID 137419061
1,1-diethoxyethane
CID 7765
1-(1-ethoxyethylsulfanyl)dodecane
CID 173426954
2-(1-ethoxyethylsulfanyl)acetonitrile
CID 15697610
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
2-ethoxypropane;zinc
CID 174321747
diethoxymethylsilane;propane
CID 174925754
N,N'-dimethyl-N-[2-(1-methylsulfanylethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 170230249
CID 159597367
CID 159597367
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methylsulfanylethane?
The IUPAC name of 1-ethoxy-1-methylsulfanylethane (CID 18710050) is 1-ethoxy-1-methylsulfanylethane.
What is the SMILES notation for 1-ethoxy-1-methylsulfanylethane?
The canonical SMILES for 1-ethoxy-1-methylsulfanylethane is CCOC(C)SC.
What is the InChIKey of 1-ethoxy-1-methylsulfanylethane?
The InChIKey is CIZDUCZVNBWFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-4-6-5(2)7-3/h5H,4H2,1-3H3.
What are the key properties of 1-ethoxy-1-methylsulfanylethane?
1-ethoxy-1-methylsulfanylethane has a molecular weight of 120.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methylsulfanylethane is sourced from PubChem (CID 18710050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).