2-(2-phenylethenylsulfanyl)quinoline

C17H13NS — CID 4204565

IUPAC2-(2-phenylethenylsulfanyl)quinoline
SMILESC(=Cc1ccccc1)Sc1ccc2ccccc2n1
InChIInChI=1S/C17H13NS/c1-2-6-14(7-3-1)12-13-19-17-11-10-15-8-4-5-9-16(15)18-17/h1-13H
InChIKeyMZTWHEIHMUUTHX-UHFFFAOYSA-N
MW263.37 g/mol
LogP5.00
Rot. Bonds3

About 2-(2-phenylethenylsulfanyl)quinoline

2-(2-phenylethenylsulfanyl)quinoline (PubChem CID 4204565) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(2-phenylethenylsulfanyl)quinoline.

Molecular Properties

Compound Name2-(2-phenylethenylsulfanyl)quinoline
PubChem CID4204565
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name2-(2-phenylethenylsulfanyl)quinoline
SMILESC(=Cc1ccccc1)Sc1ccc2ccccc2n1
InChIInChI=1S/C17H13NS/c1-2-6-14(7-3-1)12-13-19-17-11-10-15-8-4-5-9-16(15)18-17/h1-13H
InChIKeyMZTWHEIHMUUTHX-UHFFFAOYSA-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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Related Compounds

ethane;2-methylsulfanylquinoline
CID 123701465
2-(3-phenylprop-2-enyl)quinoline
CID 91377600
(E)-3-(3-quinolin-2-ylsulfanylphenyl)prop-2-enoic acid
CID 175473688
2-benzhydrylsulfanylquinoline
CID 39765800
2-(pyridin-2-ylmethylsulfanyl)quinoline
CID 19850809
(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
CID 23656826
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
[(Z)-2-[(E)-2-phenylethenyl]sulfanylethenyl]benzene
CID 11276469
8-[(E)-2-phenylethenyl]sulfanylquinoline
CID 738788
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenylsulfanyl)quinoline?
The IUPAC name of 2-(2-phenylethenylsulfanyl)quinoline (CID 4204565) is 2-(2-phenylethenylsulfanyl)quinoline.
What is the SMILES notation for 2-(2-phenylethenylsulfanyl)quinoline?
The canonical SMILES for 2-(2-phenylethenylsulfanyl)quinoline is C(=Cc1ccccc1)Sc1ccc2ccccc2n1.
What is the InChIKey of 2-(2-phenylethenylsulfanyl)quinoline?
The InChIKey is MZTWHEIHMUUTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NS/c1-2-6-14(7-3-1)12-13-19-17-11-10-15-8-4-5-9-16(15)18-17/h1-13H.
What are the key properties of 2-(2-phenylethenylsulfanyl)quinoline?
2-(2-phenylethenylsulfanyl)quinoline 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 2-(2-phenylethenylsulfanyl)quinoline is sourced from PubChem (CID 4204565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).