ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine

C16H18FNS — CID 156831161

IUPACethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine
SMILESCC.Cc1ccc(S/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNS.C2H6/c1-11-2-8-14(9-3-11)17-16-10-12-4-6-13(15)7-5-12;1-2/h2-10H,1H3;1-2H3/b16-10+;
InChIKeyFFLAFLKCQBKJFT-QFHYWFJHSA-N
MW275.39 g/mol
LogP5.29
Rot. Bonds3

About ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine

ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine (PubChem CID 156831161) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine.

Molecular Properties

Compound Nameethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine
PubChem CID156831161
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Nameethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine
SMILESCC.Cc1ccc(S/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNS.C2H6/c1-11-2-8-14(9-3-11)17-16-10-12-4-6-13(15)7-5-12;1-2/h2-10H,1H3;1-2H3/b16-10+;
InChIKeyFFLAFLKCQBKJFT-QFHYWFJHSA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.29
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 ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine?
The IUPAC name of ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine (CID 156831161) is ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine.
What is the SMILES notation for ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine?
The canonical SMILES for ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine is CC.Cc1ccc(S/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine?
The InChIKey is FFLAFLKCQBKJFT-QFHYWFJHSA-N. The full InChI is InChI=1S/C14H12FNS.C2H6/c1-11-2-8-14(9-3-11)17-16-10-12-4-6-13(15)7-5-12;1-2/h2-10H,1H3;1-2H3/b16-10+;.
What are the key properties of ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine?
ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine has a molecular weight of 275.39 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine is sourced from PubChem (CID 156831161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).