1-methoxy-1-(1-methoxyethyldisulfanyl)ethane

C6H14O2S2 — CID 22328291

IUPAC1-methoxy-1-(1-methoxyethyldisulfanyl)ethane
SMILESCOC(C)SSC(C)OC
InChIInChI=1S/C6H14O2S2/c1-5(7-3)9-10-6(2)8-4/h5-6H,1-4H3
InChIKeyVNLIMNDHURREJV-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.35
Rot. Bonds5

About 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane

1-methoxy-1-(1-methoxyethyldisulfanyl)ethane (PubChem CID 22328291) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane.

Molecular Properties

Compound Name1-methoxy-1-(1-methoxyethyldisulfanyl)ethane
PubChem CID22328291
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name1-methoxy-1-(1-methoxyethyldisulfanyl)ethane
SMILESCOC(C)SSC(C)OC
InChIInChI=1S/C6H14O2S2/c1-5(7-3)9-10-6(2)8-4/h5-6H,1-4H3
InChIKeyVNLIMNDHURREJV-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyethylphosphane
CID 18189169
ethane-1,2-diol;1-methoxyethyl thiocyanate
CID 88758814
1-methoxyethanamine
CID 19353429
1,1-dimethoxyethane chloride
CID 22648542
1,1-dimethoxyethane;hafnium
CID 159457910
2-methylperoxysulfanylpropane
CID 59439308
2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
CID 87233502
tetrakis(1-methoxyethanolate);tin(4+)
CID 160720785
lithium;1,1-dimethoxyethane;hydride
CID 174450087
europium(3+);tris(1-methoxyethanolate)
CID 161192952
CID 158878938
CID 158878938
zinc;1,1-dimethoxyethane;dichloride
CID 173213885

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane?
The IUPAC name of 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane (CID 22328291) is 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane.
What is the SMILES notation for 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane?
The canonical SMILES for 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane is COC(C)SSC(C)OC.
What is the InChIKey of 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane?
The InChIKey is VNLIMNDHURREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5(7-3)9-10-6(2)8-4/h5-6H,1-4H3.
What are the key properties of 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane?
1-methoxy-1-(1-methoxyethyldisulfanyl)ethane has a molecular weight of 182.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1-methoxyethyldisulfanyl)ethane is sourced from PubChem (CID 22328291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).