[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate

C6H16O4S2 — CID 14073041

IUPAC[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate
SMILESCCS(C)(CC)OS(=O)(=O)OC
InChIInChI=1S/C6H16O4S2/c1-5-11(4,6-2)10-12(7,8)9-3/h5-6H2,1-4H3
InChIKeyQNUOQLNGEXKXPE-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.28
Rot. Bonds5

About [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate

[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate (PubChem CID 14073041) has the molecular formula C6H16O4S2 and a molecular weight of 216.32 g/mol. Its IUPAC name is [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate.

Molecular Properties

Compound Name[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate
PubChem CID14073041
Molecular FormulaC6H16O4S2
Molecular Weight216.32 g/mol
Exact Mass216.05
IUPAC Name[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate
SMILESCCS(C)(CC)OS(=O)(=O)OC
InChIInChI=1S/C6H16O4S2/c1-5-11(4,6-2)10-12(7,8)9-3/h5-6H2,1-4H3
InChIKeyQNUOQLNGEXKXPE-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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azane;N,N-dimethylmethanamine;1-hydroxypropyl methyl sulfate
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Frequently Asked Questions

What is the IUPAC name of [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate?
The IUPAC name of [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate (CID 14073041) is [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate.
What is the SMILES notation for [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate?
The canonical SMILES for [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate is CCS(C)(CC)OS(=O)(=O)OC.
What is the InChIKey of [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate?
The InChIKey is QNUOQLNGEXKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O4S2/c1-5-11(4,6-2)10-12(7,8)9-3/h5-6H2,1-4H3.
What are the key properties of [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate?
[diethyl(methyl)-lambda4-sulfanyl] methyl sulfate has a molecular weight of 216.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl(methyl)-lambda4-sulfanyl] methyl sulfate is sourced from PubChem (CID 14073041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).