(E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine

C14H10F3NS — CID 134998911

IUPAC(E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/Sc2ccccc2)cc1
InChIInChI=1S/C14H10F3NS/c15-14(16,17)12-8-6-11(7-9-12)10-18-19-13-4-2-1-3-5-13/h1-10H/b18-10+
InChIKeyKRWIFKKTCARKHH-VCHYOVAHSA-N
MW281.30 g/mol
LogP4.83
Rot. Bonds3

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

(E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 134998911) has the molecular formula C14H10F3NS and a molecular weight of 281.30 g/mol. Its IUPAC name is (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID134998911
Molecular FormulaC14H10F3NS
Molecular Weight281.30 g/mol
Exact Mass281.05
IUPAC Name(E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/Sc2ccccc2)cc1
InChIInChI=1S/C14H10F3NS/c15-14(16,17)12-8-6-11(7-9-12)10-18-19-13-4-2-1-3-5-13/h1-10H/b18-10+
InChIKeyKRWIFKKTCARKHH-VCHYOVAHSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine (CID 134998911) is (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/Sc2ccccc2)cc1.
What is the InChIKey of (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is KRWIFKKTCARKHH-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H10F3NS/c15-14(16,17)12-8-6-11(7-9-12)10-18-19-13-4-2-1-3-5-13/h1-10H/b18-10+.
What are the key properties of (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 281.30 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 134998911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).