N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine

C9H9FN2S — CID 87427744

IUPACN'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine
SMILESCN=C=Nc1ccc(SC)cc1F
InChIInChI=1S/C9H9FN2S/c1-11-6-12-9-4-3-7(13-2)5-8(9)10/h3-5H,1-2H3
InChIKeyQVISPBZUITXENO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.98
Rot. Bonds2

About N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine

N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine (PubChem CID 87427744) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine.

Molecular Properties

Compound NameN'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine
PubChem CID87427744
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC NameN'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine
SMILESCN=C=Nc1ccc(SC)cc1F
InChIInChI=1S/C9H9FN2S/c1-11-6-12-9-4-3-7(13-2)5-8(9)10/h3-5H,1-2H3
InChIKeyQVISPBZUITXENO-UHFFFAOYSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine?
The IUPAC name of N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine (CID 87427744) is N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine.
What is the SMILES notation for N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine?
The canonical SMILES for N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine is CN=C=Nc1ccc(SC)cc1F.
What is the InChIKey of N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine?
The InChIKey is QVISPBZUITXENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-11-6-12-9-4-3-7(13-2)5-8(9)10/h3-5H,1-2H3.
What are the key properties of N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine?
N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine has a molecular weight of 196.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine is sourced from PubChem (CID 87427744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).