ethylsulfanylmethoxyethane

C5H12OS — CID 547812

IUPACethylsulfanylmethoxyethane
SMILESCCOCSCC
InChIInChI=1S/C5H12OS/c1-3-6-5-7-4-2/h3-5H2,1-2H3
InChIKeyGMOCZOATOVWMFP-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.73
Rot. Bonds4

About ethylsulfanylmethoxyethane

ethylsulfanylmethoxyethane (PubChem CID 547812) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is ethylsulfanylmethoxyethane.

Molecular Properties

Compound Nameethylsulfanylmethoxyethane
PubChem CID547812
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Nameethylsulfanylmethoxyethane
SMILESCCOCSCC
InChIInChI=1S/C5H12OS/c1-3-6-5-7-4-2/h3-5H2,1-2H3
InChIKeyGMOCZOATOVWMFP-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylmethoxyethane?
The IUPAC name of ethylsulfanylmethoxyethane (CID 547812) is ethylsulfanylmethoxyethane.
What is the SMILES notation for ethylsulfanylmethoxyethane?
The canonical SMILES for ethylsulfanylmethoxyethane is CCOCSCC.
What is the InChIKey of ethylsulfanylmethoxyethane?
The InChIKey is GMOCZOATOVWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-3-6-5-7-4-2/h3-5H2,1-2H3.
What are the key properties of ethylsulfanylmethoxyethane?
ethylsulfanylmethoxyethane has a molecular weight of 120.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethoxyethane is sourced from PubChem (CID 547812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).