1,1-diethoxy-2-ethylsulfanylethane

C8H18O2S — CID 12726338

IUPAC1,1-diethoxy-2-ethylsulfanylethane
SMILESCCOC(CSCC)OCC
InChIInChI=1S/C8H18O2S/c1-4-9-8(10-5-2)7-11-6-3/h8H,4-7H2,1-3H3
InChIKeyMEYLZWCRIMFXNG-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.14
Rot. Bonds7

About 1,1-diethoxy-2-ethylsulfanylethane

1,1-diethoxy-2-ethylsulfanylethane (PubChem CID 12726338) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1,1-diethoxy-2-ethylsulfanylethane.

Molecular Properties

Compound Name1,1-diethoxy-2-ethylsulfanylethane
PubChem CID12726338
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1,1-diethoxy-2-ethylsulfanylethane
SMILESCCOC(CSCC)OCC
InChIInChI=1S/C8H18O2S/c1-4-9-8(10-5-2)7-11-6-3/h8H,4-7H2,1-3H3
InChIKeyMEYLZWCRIMFXNG-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methional diethyl acetal
CID 85521
2-(Methylthio)-acetaldehyde diethyl acetal
CID 295980
2,4,6-Trimethyl-1,3,5-dioxathiane
CID 23262324
Bis(2,2-diethoxyethyl) Disulfide
CID 10990187
1,1-Diethoxy-2-methanesulfinylethane
CID 64640966
Diethoxy ethylthiomethane
CID 141228
1,1-Diethoxy-1-(ethylthio)ethane
CID 144277
2-(Ethylsulfanyl)-1,1-dimethoxyethane
CID 21678065
2-(2,2-Dimethoxy-ethylsulfanyl)-propane
CID 21678066
2-(2,2-Dimethoxy-ethylsulfanyl)-2-methyl-propane
CID 21678071
Bis(2,2-diethoxyethyl)sulfane
CID 2776988
Dimethoxyethyl sulfide
CID 554732

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-2-ethylsulfanylethane?
The IUPAC name of 1,1-diethoxy-2-ethylsulfanylethane (CID 12726338) is 1,1-diethoxy-2-ethylsulfanylethane.
What is the SMILES notation for 1,1-diethoxy-2-ethylsulfanylethane?
The canonical SMILES for 1,1-diethoxy-2-ethylsulfanylethane is CCOC(CSCC)OCC.
What is the InChIKey of 1,1-diethoxy-2-ethylsulfanylethane?
The InChIKey is MEYLZWCRIMFXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-4-9-8(10-5-2)7-11-6-3/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-diethoxy-2-ethylsulfanylethane?
1,1-diethoxy-2-ethylsulfanylethane has a molecular weight of 178.30 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-ethylsulfanylethane is sourced from PubChem (CID 12726338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).