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

C9H8F3NS — CID 175162135

IUPACN-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCSN=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NS/c1-14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-6H,1H3
InChIKeySTCWZPJXHRGJNA-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.40
Rot. Bonds2

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

N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 175162135) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID175162135
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC NameN-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCSN=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NS/c1-14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-6H,1H3
InChIKeySTCWZPJXHRGJNA-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 74057330
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 5347654
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 9350659
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine
CID 5409747
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene
CID 166931724
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine (CID 175162135) is N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine is CSN=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is STCWZPJXHRGJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NS/c1-14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-6H,1H3.
What are the key properties of N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 219.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 175162135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).