N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine

C9H8F3NS — CID 123529789

IUPACN-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESC/N=C/c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H8F3NS/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyKOWRSKQOBDXFQJ-AWNIVKPZSA-N
MW219.23 g/mol
LogP3.35
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine

N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine (PubChem CID 123529789) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
PubChem CID123529789
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC NameN-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESC/N=C/c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H8F3NS/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyKOWRSKQOBDXFQJ-AWNIVKPZSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.35
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-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine (CID 123529789) is N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine is C/N=C/c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
The InChIKey is KOWRSKQOBDXFQJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8F3NS/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,1H3/b13-6+.
What are the key properties of N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine has a molecular weight of 219.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine is sourced from PubChem (CID 123529789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).