(E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine

C21H17NS — CID 122396377

IUPAC(E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\c1ccccc1Sc1ccccc1
InChIInChI=1S/C21H17NS/c1-3-10-18(11-4-1)12-9-17-22-20-15-7-8-16-21(20)23-19-13-5-2-6-14-19/h1-17H/b12-9+,22-17+
InChIKeyMDWNPNRLIAVYEI-ULICSTANSA-N
MW315.44 g/mol
LogP6.25
Rot. Bonds5

About (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine

(E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine (PubChem CID 122396377) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine
PubChem CID122396377
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name(E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\c1ccccc1Sc1ccccc1
InChIInChI=1S/C21H17NS/c1-3-10-18(11-4-1)12-9-17-22-20-15-7-8-16-21(20)23-19-13-5-2-6-14-19/h1-17H/b12-9+,22-17+
InChIKeyMDWNPNRLIAVYEI-ULICSTANSA-N
XLogP6.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine (CID 122396377) is (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine is C(=C/c1ccccc1)\C=N\c1ccccc1Sc1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine?
The InChIKey is MDWNPNRLIAVYEI-ULICSTANSA-N. The full InChI is InChI=1S/C21H17NS/c1-3-10-18(11-4-1)12-9-17-22-20-15-7-8-16-21(20)23-19-13-5-2-6-14-19/h1-17H/b12-9+,22-17+.
What are the key properties of (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine?
(E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine has a molecular weight of 315.44 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(2-phenylsulfanylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 122396377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).