N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine

C19H10F5NS2 — CID 134917245

IUPACN-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine
SMILESFc1c(F)c(F)c(N=C(Sc2ccccc2)Sc2ccccc2)c(F)c1F
InChIInChI=1S/C19H10F5NS2/c20-13-14(21)16(23)18(17(24)15(13)22)25-19(26-11-7-3-1-4-8-11)27-12-9-5-2-6-10-12/h1-10H
InChIKeyXWIIFWVSZQOSSG-UHFFFAOYSA-N
MW411.42 g/mol
LogP6.95
Rot. Bonds3

About N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine

N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine (PubChem CID 134917245) has the molecular formula C19H10F5NS2 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine
PubChem CID134917245
Molecular FormulaC19H10F5NS2
Molecular Weight411.42 g/mol
Exact Mass411.02
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine
SMILESFc1c(F)c(F)c(N=C(Sc2ccccc2)Sc2ccccc2)c(F)c1F
InChIInChI=1S/C19H10F5NS2/c20-13-14(21)16(23)18(17(24)15(13)22)25-19(26-11-7-3-1-4-8-11)27-12-9-5-2-6-10-12/h1-10H
InChIKeyXWIIFWVSZQOSSG-UHFFFAOYSA-N
XLogP6.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine (CID 134917245) is N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine is Fc1c(F)c(F)c(N=C(Sc2ccccc2)Sc2ccccc2)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine?
The InChIKey is XWIIFWVSZQOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5NS2/c20-13-14(21)16(23)18(17(24)15(13)22)25-19(26-11-7-3-1-4-8-11)27-12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine?
N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine has a molecular weight of 411.42 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-1,1-bis(phenylsulfanyl)methanimine is sourced from PubChem (CID 134917245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).