8-[(E)-2-phenylethenyl]sulfanylquinoline

C17H13NS — CID 738788

IUPAC8-[(E)-2-phenylethenyl]sulfanylquinoline
SMILESC(=C/c1ccccc1)\Sc1cccc2cccnc12
InChIInChI=1S/C17H13NS/c1-2-6-14(7-3-1)11-13-19-16-10-4-8-15-9-5-12-18-17(15)16/h1-13H/b13-11+
InChIKeyRIEYZFQTLWIXPH-ACCUITESSA-N
MW263.37 g/mol
LogP5.00
Rot. Bonds3

About 8-[(E)-2-phenylethenyl]sulfanylquinoline

8-[(E)-2-phenylethenyl]sulfanylquinoline (PubChem CID 738788) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is 8-[(E)-2-phenylethenyl]sulfanylquinoline.

Molecular Properties

Compound Name8-[(E)-2-phenylethenyl]sulfanylquinoline
PubChem CID738788
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name8-[(E)-2-phenylethenyl]sulfanylquinoline
SMILESC(=C/c1ccccc1)\Sc1cccc2cccnc12
InChIInChI=1S/C17H13NS/c1-2-6-14(7-3-1)11-13-19-16-10-4-8-15-9-5-12-18-17(15)16/h1-13H/b13-11+
InChIKeyRIEYZFQTLWIXPH-ACCUITESSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-2-phenylethenyl]sulfanylquinoline?
The IUPAC name of 8-[(E)-2-phenylethenyl]sulfanylquinoline (CID 738788) is 8-[(E)-2-phenylethenyl]sulfanylquinoline.
What is the SMILES notation for 8-[(E)-2-phenylethenyl]sulfanylquinoline?
The canonical SMILES for 8-[(E)-2-phenylethenyl]sulfanylquinoline is C(=C/c1ccccc1)\Sc1cccc2cccnc12.
What is the InChIKey of 8-[(E)-2-phenylethenyl]sulfanylquinoline?
The InChIKey is RIEYZFQTLWIXPH-ACCUITESSA-N. The full InChI is InChI=1S/C17H13NS/c1-2-6-14(7-3-1)11-13-19-16-10-4-8-15-9-5-12-18-17(15)16/h1-13H/b13-11+.
What are the key properties of 8-[(E)-2-phenylethenyl]sulfanylquinoline?
8-[(E)-2-phenylethenyl]sulfanylquinoline has a molecular weight of 263.37 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-phenylethenyl]sulfanylquinoline is sourced from PubChem (CID 738788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).