diphenyl(pyrazin-2-ylimino)-λ4-sulfane

C16H13N3S — CID 15437572

IUPACdiphenyl(pyrazin-2-ylimino)-λ4-sulfane
SMILESc1ccc(S(=Nc2cnccn2)c2ccccc2)cc1
InChIInChI=1S/C16H13N3S/c1-3-7-14(8-4-1)20(15-9-5-2-6-10-15)19-16-13-17-11-12-18-16/h1-13H
InChIKeyRUZCXHFPOHLJMI-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.03
Rot. Bonds3

About diphenyl(pyrazin-2-ylimino)-λ4-sulfane

diphenyl(pyrazin-2-ylimino)-λ4-sulfane (PubChem CID 15437572) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is diphenyl(pyrazin-2-ylimino)-λ4-sulfane.

Molecular Properties

Compound Namediphenyl(pyrazin-2-ylimino)-λ4-sulfane
PubChem CID15437572
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Namediphenyl(pyrazin-2-ylimino)-λ4-sulfane
SMILESc1ccc(S(=Nc2cnccn2)c2ccccc2)cc1
InChIInChI=1S/C16H13N3S/c1-3-7-14(8-4-1)20(15-9-5-2-6-10-15)19-16-13-17-11-12-18-16/h1-13H
InChIKeyRUZCXHFPOHLJMI-UHFFFAOYSA-N
XLogP4.03
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diphenyl(pyrazin-2-ylimino)-λ4-sulfane?
The IUPAC name of diphenyl(pyrazin-2-ylimino)-λ4-sulfane (CID 15437572) is diphenyl(pyrazin-2-ylimino)-λ4-sulfane.
What is the SMILES notation for diphenyl(pyrazin-2-ylimino)-λ4-sulfane?
The canonical SMILES for diphenyl(pyrazin-2-ylimino)-λ4-sulfane is c1ccc(S(=Nc2cnccn2)c2ccccc2)cc1.
What is the InChIKey of diphenyl(pyrazin-2-ylimino)-λ4-sulfane?
The InChIKey is RUZCXHFPOHLJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-3-7-14(8-4-1)20(15-9-5-2-6-10-15)19-16-13-17-11-12-18-16/h1-13H.
What are the key properties of diphenyl(pyrazin-2-ylimino)-λ4-sulfane?
diphenyl(pyrazin-2-ylimino)-λ4-sulfane has a molecular weight of 279.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(pyrazin-2-ylimino)-λ4-sulfane is sourced from PubChem (CID 15437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).