N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine

C11H12FNS — CID 131982009

IUPACN-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine
SMILESC=CSc1c(/N=C/C)ccc(C)c1F
InChIInChI=1S/C11H12FNS/c1-4-13-9-7-6-8(3)10(12)11(9)14-5-2/h4-7H,2H2,1,3H3/b13-4+
InChIKeyRUPSNTKXVAAKMU-YIXHJXPBSA-N
MW209.29 g/mol
LogP4.09
Rot. Bonds3

About N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine

N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine (PubChem CID 131982009) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine
PubChem CID131982009
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC NameN-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine
SMILESC=CSc1c(/N=C/C)ccc(C)c1F
InChIInChI=1S/C11H12FNS/c1-4-13-9-7-6-8(3)10(12)11(9)14-5-2/h4-7H,2H2,1,3H3/b13-4+
InChIKeyRUPSNTKXVAAKMU-YIXHJXPBSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine?
The IUPAC name of N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine (CID 131982009) is N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine.
What is the SMILES notation for N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine?
The canonical SMILES for N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine is C=CSc1c(/N=C/C)ccc(C)c1F.
What is the InChIKey of N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine?
The InChIKey is RUPSNTKXVAAKMU-YIXHJXPBSA-N. The full InChI is InChI=1S/C11H12FNS/c1-4-13-9-7-6-8(3)10(12)11(9)14-5-2/h4-7H,2H2,1,3H3/b13-4+.
What are the key properties of N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine?
N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine has a molecular weight of 209.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine is sourced from PubChem (CID 131982009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).