1-(ethyldisulfanyl)-2-methoxyethane

C5H12OS2 — CID 58608020

IUPAC1-(ethyldisulfanyl)-2-methoxyethane
SMILESCCSSCCOC
InChIInChI=1S/C5H12OS2/c1-3-7-8-5-4-6-2/h3-5H2,1-2H3
InChIKeyLVIVZCZPVGWUOD-UHFFFAOYSA-N
MW152.28 g/mol
LogP2.03
Rot. Bonds5

About 1-(ethyldisulfanyl)-2-methoxyethane

1-(ethyldisulfanyl)-2-methoxyethane (PubChem CID 58608020) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-2-methoxyethane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-2-methoxyethane
PubChem CID58608020
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name1-(ethyldisulfanyl)-2-methoxyethane
SMILESCCSSCCOC
InChIInChI=1S/C5H12OS2/c1-3-7-8-5-4-6-2/h3-5H2,1-2H3
InChIKeyLVIVZCZPVGWUOD-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
copper;(ethyldisulfanyl)ethane
CID 159600030
1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine
CID 134517104
2-(2-methoxyethyldisulfanyl)ethyl 2-chloroacetate
CID 58493606
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
formaldehyde;1-methoxy-2-methylsulfanylethane
CID 159879063
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
N-[2-(3-methoxypropyldisulfanyl)ethyl]butan-1-amine
CID 158207696
CID 88829017
CID 88829017
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
1-(2-methoxyethylsulfanyl)prop-1-ene
CID 71371886

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-2-methoxyethane?
The IUPAC name of 1-(ethyldisulfanyl)-2-methoxyethane (CID 58608020) is 1-(ethyldisulfanyl)-2-methoxyethane.
What is the SMILES notation for 1-(ethyldisulfanyl)-2-methoxyethane?
The canonical SMILES for 1-(ethyldisulfanyl)-2-methoxyethane is CCSSCCOC.
What is the InChIKey of 1-(ethyldisulfanyl)-2-methoxyethane?
The InChIKey is LVIVZCZPVGWUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-3-7-8-5-4-6-2/h3-5H2,1-2H3.
What are the key properties of 1-(ethyldisulfanyl)-2-methoxyethane?
1-(ethyldisulfanyl)-2-methoxyethane has a molecular weight of 152.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-2-methoxyethane is sourced from PubChem (CID 58608020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).