methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane

C21H20N2S — CID 162402568

IUPACmethyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane
SMILESCS(=N/C=C/c1ccccc1)(=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2S/c1-24(21-15-9-4-10-16-21,23-20-13-7-3-8-14-20)22-18-17-19-11-5-2-6-12-19/h2-18H,1H3/b18-17+
InChIKeyIMLTVIZEPKHLCH-ISLYRVAYSA-N
MW332.47 g/mol
LogP6.20
Rot. Bonds4

About methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane

methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane (PubChem CID 162402568) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane.

Molecular Properties

Compound Namemethyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane
PubChem CID162402568
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Namemethyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane
SMILESCS(=N/C=C/c1ccccc1)(=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2S/c1-24(21-15-9-4-10-16-21,23-20-13-7-3-8-14-20)22-18-17-19-11-5-2-6-12-19/h2-18H,1H3/b18-17+
InChIKeyIMLTVIZEPKHLCH-ISLYRVAYSA-N
XLogP6.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane?
The IUPAC name of methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane (CID 162402568) is methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane.
What is the SMILES notation for methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane?
The canonical SMILES for methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane is CS(=N/C=C/c1ccccc1)(=Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane?
The InChIKey is IMLTVIZEPKHLCH-ISLYRVAYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-24(21-15-9-4-10-16-21,23-20-13-7-3-8-14-20)22-18-17-19-11-5-2-6-12-19/h2-18H,1H3/b18-17+.
What are the key properties of methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane?
methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane has a molecular weight of 332.47 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-[(E)-2-phenylethenyl]imino-phenylimino-λ6-sulfane is sourced from PubChem (CID 162402568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).