(E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine

C13H10FNS — CID 16726902

IUPAC(E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine
SMILESFc1ccc(/C=N/Sc2ccccc2)cc1
InChIInChI=1S/C13H10FNS/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10H/b15-10+
InChIKeyWPFIUGNDXMRRBP-XNTDXEJSSA-N
MW231.30 g/mol
LogP3.95
Rot. Bonds3

About (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine

(E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine (PubChem CID 16726902) has the molecular formula C13H10FNS and a molecular weight of 231.30 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine
PubChem CID16726902
Molecular FormulaC13H10FNS
Molecular Weight231.30 g/mol
Exact Mass231.05
IUPAC Name(E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine
SMILESFc1ccc(/C=N/Sc2ccccc2)cc1
InChIInChI=1S/C13H10FNS/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10H/b15-10+
InChIKeyWPFIUGNDXMRRBP-XNTDXEJSSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine (CID 16726902) is (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine is Fc1ccc(/C=N/Sc2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine?
The InChIKey is WPFIUGNDXMRRBP-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H10FNS/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10H/b15-10+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine?
(E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine has a molecular weight of 231.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-phenylsulfanylmethanimine is sourced from PubChem (CID 16726902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).