1-ethylsulfanyl-2-ethylsulfonylethane

C6H14O2S2 — CID 45490176

IUPAC1-ethylsulfanyl-2-ethylsulfonylethane
SMILESCCSCCS(=O)(=O)CC
InChIInChI=1S/C6H14O2S2/c1-3-9-5-6-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyZXRUCOFKXDCOPW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.17
Rot. Bonds5

About 1-ethylsulfanyl-2-ethylsulfonylethane

1-ethylsulfanyl-2-ethylsulfonylethane (PubChem CID 45490176) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-ethylsulfonylethane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-ethylsulfonylethane
PubChem CID45490176
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name1-ethylsulfanyl-2-ethylsulfonylethane
SMILESCCSCCS(=O)(=O)CC
InChIInChI=1S/C6H14O2S2/c1-3-9-5-6-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyZXRUCOFKXDCOPW-UHFFFAOYSA-N
XLogP1.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethylsulfanyl-2-ethylsulfonylethane?
The IUPAC name of 1-ethylsulfanyl-2-ethylsulfonylethane (CID 45490176) is 1-ethylsulfanyl-2-ethylsulfonylethane.
What is the SMILES notation for 1-ethylsulfanyl-2-ethylsulfonylethane?
The canonical SMILES for 1-ethylsulfanyl-2-ethylsulfonylethane is CCSCCS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfanyl-2-ethylsulfonylethane?
The InChIKey is ZXRUCOFKXDCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-3-9-5-6-10(7,8)4-2/h3-6H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2-ethylsulfonylethane?
1-ethylsulfanyl-2-ethylsulfonylethane has a molecular weight of 182.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-ethylsulfonylethane is sourced from PubChem (CID 45490176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).