methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane

C20H17F3N2S — CID 162401132

IUPACmethyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane
SMILESCS(=Nc1ccccc1)(=Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H17F3N2S/c1-26(19-13-6-3-7-14-19,24-17-10-4-2-5-11-17)25-18-12-8-9-16(15-18)20(21,22)23/h2-15H,1H3
InChIKeyUUXXYIMNYVZWDP-UHFFFAOYSA-N
MW374.43 g/mol
LogP6.88
Rot. Bonds3

About methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane

methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane (PubChem CID 162401132) has the molecular formula C20H17F3N2S and a molecular weight of 374.43 g/mol. Its IUPAC name is methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane.

Molecular Properties

Compound Namemethyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane
PubChem CID162401132
Molecular FormulaC20H17F3N2S
Molecular Weight374.43 g/mol
Exact Mass374.11
IUPAC Namemethyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane
SMILESCS(=Nc1ccccc1)(=Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H17F3N2S/c1-26(19-13-6-3-7-14-19,24-17-10-4-2-5-11-17)25-18-12-8-9-16(15-18)20(21,22)23/h2-15H,1H3
InChIKeyUUXXYIMNYVZWDP-UHFFFAOYSA-N
XLogP6.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-oxo-phenyl-[4-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 137652091
Methyl-oxo-phenyl-[4-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 137654867
3-(Trifluoromethyl)-4-(4-aminophenylthio)benzeneamine
CID 17834564
Methyl-oxo-phenyl-[4-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 10709263
phenyl 1-phenylselanyl-N-[4-(trifluoromethyl)phenyl]methanimidothioate
CID 16102199
N-tolyl-S-difluoromethyl-S-phenylsulfoximine
CID 129828007
[4-[(4-Methylphenyl)sulfinylmethyl]phenyl]-[4-(trifluoromethyl)phenyl]diazene
CID 134935588
Methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 138965777
Methyl-(4-methylphenyl)-oxo-[4-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 164667661
methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-lambda6-sulfane
CID 162402568
3-(4-Methylsulfanylphenyl)-5-phenylaniline
CID 76333934
phenyl (E)-4,4,4-trifluoro-N-(4-methylphenyl)-3-phenylsulfanylbut-2-enimidothioate
CID 59498250

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The IUPAC name of methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane (CID 162401132) is methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane.
What is the SMILES notation for methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The canonical SMILES for methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane is CS(=Nc1ccccc1)(=Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The InChIKey is UUXXYIMNYVZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2S/c1-26(19-13-6-3-7-14-19,24-17-10-4-2-5-11-17)25-18-12-8-9-16(15-18)20(21,22)23/h2-15H,1H3.
What are the key properties of methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane has a molecular weight of 374.43 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane is sourced from PubChem (CID 162401132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).