N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine

C10H10F3NS — CID 163368289

IUPACN-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine
SMILESC/N=C/c1ccc(SC)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NS/c1-14-6-7-3-4-9(15-2)8(5-7)10(11,12)13/h3-6H,1-2H3/b14-6+
InChIKeyOERXRYLLPMATHU-MKMNVTDBSA-N
MW233.26 g/mol
LogP3.48
Rot. Bonds2

About N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine

N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine (PubChem CID 163368289) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine
PubChem CID163368289
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine
SMILESC/N=C/c1ccc(SC)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NS/c1-14-6-7-3-4-9(15-2)8(5-7)10(11,12)13/h3-6H,1-2H3/b14-6+
InChIKeyOERXRYLLPMATHU-MKMNVTDBSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-[(2-methylsulfanylphenyl)methylidene]azanium;trifluoromethanesulfonate
CID 11381899
2,3-Dihydro-1,4-benzothiazepine
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2-Methylthiophenylmethylenimine
CID 88561931
4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene
CID 5354449
2-[[4-(Trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial
CID 91055066
N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
CID 123529789
N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine
CID 126489064
methyl N-propyl-3,5-bis(trifluoromethyl)benzenecarboximidothioate
CID 134583109
(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine
CID 146415986
[4-(Trifluoromethylsulfanyl)phenyl]methanimine
CID 149562760
4-[4-(Trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine
CID 154037678
5-Phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazepine
CID 154099520

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine (CID 163368289) is N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine is C/N=C/c1ccc(SC)c(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is OERXRYLLPMATHU-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-14-6-7-3-4-9(15-2)8(5-7)10(11,12)13/h3-6H,1-2H3/b14-6+.
What are the key properties of N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine?
N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 233.26 g/mol, XLogP of 3.48, 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-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 163368289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).