ethoxyethane;(methyldisulfanyl)methane

C6H16OS2 — CID 155026334

IUPACethoxyethane;(methyldisulfanyl)methane
SMILESCCOCC.CSSC
InChIInChI=1S/C4H10O.C2H6S2/c1-3-5-4-2;1-3-4-2/h3-4H2,1-2H3;1-2H3
InChIKeyWEILZVSYRJOFQJ-UHFFFAOYSA-N
MW168.33 g/mol
LogP2.67
Rot. Bonds3

About ethoxyethane;(methyldisulfanyl)methane

ethoxyethane;(methyldisulfanyl)methane (PubChem CID 155026334) has the molecular formula C6H16OS2 and a molecular weight of 168.33 g/mol. Its IUPAC name is ethoxyethane;(methyldisulfanyl)methane.

Molecular Properties

Compound Nameethoxyethane;(methyldisulfanyl)methane
PubChem CID155026334
Molecular FormulaC6H16OS2
Molecular Weight168.33 g/mol
Exact Mass168.06
IUPAC Nameethoxyethane;(methyldisulfanyl)methane
SMILESCCOCC.CSSC
InChIInChI=1S/C4H10O.C2H6S2/c1-3-5-4-2;1-3-4-2/h3-4H2,1-2H3;1-2H3
InChIKeyWEILZVSYRJOFQJ-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
CID 135083812
CID 135083812
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
aluminum;ethoxyethane;triiodide
CID 173390625
strontium;ethoxyethane;hydride
CID 174808757
ethoxyethane;molecular nitrogen
CID 86758381

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;(methyldisulfanyl)methane?
The IUPAC name of ethoxyethane;(methyldisulfanyl)methane (CID 155026334) is ethoxyethane;(methyldisulfanyl)methane.
What is the SMILES notation for ethoxyethane;(methyldisulfanyl)methane?
The canonical SMILES for ethoxyethane;(methyldisulfanyl)methane is CCOCC.CSSC.
What is the InChIKey of ethoxyethane;(methyldisulfanyl)methane?
The InChIKey is WEILZVSYRJOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6S2/c1-3-5-4-2;1-3-4-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethoxyethane;(methyldisulfanyl)methane?
ethoxyethane;(methyldisulfanyl)methane has a molecular weight of 168.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;(methyldisulfanyl)methane is sourced from PubChem (CID 155026334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).