N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine

C10H10F3NS — CID 142320327

IUPACN-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine
SMILESC=Nc1c(SCC)cccc1C(F)(F)F
InChIInChI=1S/C10H10F3NS/c1-3-15-8-6-4-5-7(9(8)14-2)10(11,12)13/h4-6H,2-3H2,1H3
InChIKeyPZRSFUFYTPKBLX-UHFFFAOYSA-N
MW233.26 g/mol
LogP4.15
Rot. Bonds3

About N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine

N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine (PubChem CID 142320327) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine
PubChem CID142320327
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine
SMILESC=Nc1c(SCC)cccc1C(F)(F)F
InChIInChI=1S/C10H10F3NS/c1-3-15-8-6-4-5-7(9(8)14-2)10(11,12)13/h4-6H,2-3H2,1H3
InChIKeyPZRSFUFYTPKBLX-UHFFFAOYSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.15
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

4-(Butan-2-ylsulfanyl)-2-(trifluoromethyl)aniline
CID 43188415
4-(Ethylsulfanyl)-2-(trifluoromethyl)aniline
CID 13070048
3-methylsulfanyl-7-(trifluoromethyl)-2H-1,4-benzothiazine
CID 20072348
4-Propan-2-ylsulfanyl-2-(trifluoromethyl)aniline
CID 20531429
4-Propylsulfanyl-2-(trifluoromethyl)aniline
CID 28412723
1-Isocyano-4-propan-2-ylsulfanyl-2-(trifluoromethyl)benzene
CID 58515284
N-methyl-2-methylsulfanyl-6-(trifluoromethyl)aniline
CID 68116594
2-Methyl-6-((trifluoromethyl)thio)aniline
CID 79018289
2-Ethenylsulfanyl-6-ethyl-3-fluoroaniline
CID 89032794
2-(Ethylthio)-4-(trifluoromethyl)benzenamine
CID 91876373
N-(2-ethenylsulfanyl-3-fluoro-4-methylphenyl)ethanimine
CID 131982009
7-Fluoro-9-methyl-2-thia-5-azabicyclo[4.4.0]deca-1(10),3,4,6,8-pentaene
CID 132054108

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine (CID 142320327) is N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine is C=Nc1c(SCC)cccc1C(F)(F)F.
What is the InChIKey of N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine?
The InChIKey is PZRSFUFYTPKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-3-15-8-6-4-5-7(9(8)14-2)10(11,12)13/h4-6H,2-3H2,1H3.
What are the key properties of N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine?
N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine has a molecular weight of 233.26 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfanyl-6-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 142320327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).