methyl 2-(3-fluorophenyl)sulfanylethanimidate

C9H10FNOS — CID 66072938

IUPACmethyl 2-(3-fluorophenyl)sulfanylethanimidate
SMILES[H]/N=C(/CSc1cccc(F)c1)OC
InChIInChI=1S/C9H10FNOS/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3/b11-9-
InChIKeyCMLLELCABQUEIS-LUAWRHEFSA-N
MW199.25 g/mol
LogP2.54
Rot. Bonds3

About methyl 2-(3-fluorophenyl)sulfanylethanimidate

methyl 2-(3-fluorophenyl)sulfanylethanimidate (PubChem CID 66072938) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)sulfanylethanimidate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)sulfanylethanimidate
PubChem CID66072938
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Namemethyl 2-(3-fluorophenyl)sulfanylethanimidate
SMILES[H]/N=C(/CSc1cccc(F)c1)OC
InChIInChI=1S/C9H10FNOS/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3/b11-9-
InChIKeyCMLLELCABQUEIS-LUAWRHEFSA-N
XLogP2.54
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2-(3-fluorophenyl)sulfanylethanimidate?
The IUPAC name of methyl 2-(3-fluorophenyl)sulfanylethanimidate (CID 66072938) is methyl 2-(3-fluorophenyl)sulfanylethanimidate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)sulfanylethanimidate?
The canonical SMILES for methyl 2-(3-fluorophenyl)sulfanylethanimidate is [H]/N=C(/CSc1cccc(F)c1)OC.
What is the InChIKey of methyl 2-(3-fluorophenyl)sulfanylethanimidate?
The InChIKey is CMLLELCABQUEIS-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3/b11-9-.
What are the key properties of methyl 2-(3-fluorophenyl)sulfanylethanimidate?
methyl 2-(3-fluorophenyl)sulfanylethanimidate has a molecular weight of 199.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)sulfanylethanimidate is sourced from PubChem (CID 66072938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).