N,4-diphenyl-1,3-dithiol-2-imine

C15H11NS2 — CID 45034962

IUPACN,4-diphenyl-1,3-dithiol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H11NS2/c1-3-7-12(8-4-1)14-11-17-15(18-14)16-13-9-5-2-6-10-13/h1-11H/b16-15+
InChIKeyGQIVTELJIVDSOB-FOCLMDBBSA-N
MW269.39 g/mol
LogP4.71
Rot. Bonds2

About N,4-diphenyl-1,3-dithiol-2-imine

N,4-diphenyl-1,3-dithiol-2-imine (PubChem CID 45034962) has the molecular formula C15H11NS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,4-diphenyl-1,3-dithiol-2-imine.

Molecular Properties

Compound NameN,4-diphenyl-1,3-dithiol-2-imine
PubChem CID45034962
Molecular FormulaC15H11NS2
Molecular Weight269.39 g/mol
Exact Mass269.03
IUPAC NameN,4-diphenyl-1,3-dithiol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H11NS2/c1-3-7-12(8-4-1)14-11-17-15(18-14)16-13-9-5-2-6-10-13/h1-11H/b16-15+
InChIKeyGQIVTELJIVDSOB-FOCLMDBBSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-1,3-dithiol-2-imine?
The IUPAC name of N,4-diphenyl-1,3-dithiol-2-imine (CID 45034962) is N,4-diphenyl-1,3-dithiol-2-imine.
What is the SMILES notation for N,4-diphenyl-1,3-dithiol-2-imine?
The canonical SMILES for N,4-diphenyl-1,3-dithiol-2-imine is c1ccc(/N=c2\scc(-c3ccccc3)s2)cc1.
What is the InChIKey of N,4-diphenyl-1,3-dithiol-2-imine?
The InChIKey is GQIVTELJIVDSOB-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H11NS2/c1-3-7-12(8-4-1)14-11-17-15(18-14)16-13-9-5-2-6-10-13/h1-11H/b16-15+.
What are the key properties of N,4-diphenyl-1,3-dithiol-2-imine?
N,4-diphenyl-1,3-dithiol-2-imine has a molecular weight of 269.39 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-1,3-dithiol-2-imine is sourced from PubChem (CID 45034962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).