ethyl 2-(2-methoxyethylsulfanyl)ethanimidate

C7H15NO2S — CID 54283054

IUPACethyl 2-(2-methoxyethylsulfanyl)ethanimidate
SMILES[H]/N=C(/CSCCOC)OCC
InChIInChI=1S/C7H15NO2S/c1-3-10-7(8)6-11-5-4-9-2/h8H,3-6H2,1-2H3/b8-7-
InChIKeyRSDAXJGTSQVHJF-FPLPWBNLSA-N
MW177.27 g/mol
LogP1.38
Rot. Bonds6

About ethyl 2-(2-methoxyethylsulfanyl)ethanimidate

ethyl 2-(2-methoxyethylsulfanyl)ethanimidate (PubChem CID 54283054) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethylsulfanyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethylsulfanyl)ethanimidate
PubChem CID54283054
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Nameethyl 2-(2-methoxyethylsulfanyl)ethanimidate
SMILES[H]/N=C(/CSCCOC)OCC
InChIInChI=1S/C7H15NO2S/c1-3-10-7(8)6-11-5-4-9-2/h8H,3-6H2,1-2H3/b8-7-
InChIKeyRSDAXJGTSQVHJF-FPLPWBNLSA-N
XLogP1.38
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethylsulfanyl)ethanimidate?
The IUPAC name of ethyl 2-(2-methoxyethylsulfanyl)ethanimidate (CID 54283054) is ethyl 2-(2-methoxyethylsulfanyl)ethanimidate.
What is the SMILES notation for ethyl 2-(2-methoxyethylsulfanyl)ethanimidate?
The canonical SMILES for ethyl 2-(2-methoxyethylsulfanyl)ethanimidate is [H]/N=C(/CSCCOC)OCC.
What is the InChIKey of ethyl 2-(2-methoxyethylsulfanyl)ethanimidate?
The InChIKey is RSDAXJGTSQVHJF-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-10-7(8)6-11-5-4-9-2/h8H,3-6H2,1-2H3/b8-7-.
What are the key properties of ethyl 2-(2-methoxyethylsulfanyl)ethanimidate?
ethyl 2-(2-methoxyethylsulfanyl)ethanimidate has a molecular weight of 177.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethylsulfanyl)ethanimidate is sourced from PubChem (CID 54283054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).