ethyl 2-(4-fluorophenyl)sulfanylethanimidate

C10H12FNOS — CID 66065725

IUPACethyl 2-(4-fluorophenyl)sulfanylethanimidate
SMILES[H]/N=C(/CSc1ccc(F)cc1)OCC
InChIInChI=1S/C10H12FNOS/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3/b12-10-
InChIKeyJCRONDVLVDNCJJ-BENRWUELSA-N
MW213.28 g/mol
LogP2.93
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)sulfanylethanimidate

ethyl 2-(4-fluorophenyl)sulfanylethanimidate (PubChem CID 66065725) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)sulfanylethanimidate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)sulfanylethanimidate
PubChem CID66065725
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-(4-fluorophenyl)sulfanylethanimidate
SMILES[H]/N=C(/CSc1ccc(F)cc1)OCC
InChIInChI=1S/C10H12FNOS/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3/b12-10-
InChIKeyJCRONDVLVDNCJJ-BENRWUELSA-N
XLogP2.93
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.93
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 ethyl 2-(4-fluorophenyl)sulfanylethanimidate?
The IUPAC name of ethyl 2-(4-fluorophenyl)sulfanylethanimidate (CID 66065725) is ethyl 2-(4-fluorophenyl)sulfanylethanimidate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)sulfanylethanimidate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)sulfanylethanimidate is [H]/N=C(/CSc1ccc(F)cc1)OCC.
What is the InChIKey of ethyl 2-(4-fluorophenyl)sulfanylethanimidate?
The InChIKey is JCRONDVLVDNCJJ-BENRWUELSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3/b12-10-.
What are the key properties of ethyl 2-(4-fluorophenyl)sulfanylethanimidate?
ethyl 2-(4-fluorophenyl)sulfanylethanimidate has a molecular weight of 213.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)sulfanylethanimidate is sourced from PubChem (CID 66065725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).