2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone

C17H13NOS — CID 4182498

IUPAC2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)n1c(=S)ccc2ccccc21
InChIInChI=1S/C17H13NOS/c19-16(12-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-17(18)20/h1-11H,12H2
InChIKeyPIVJWHYPXPNPBB-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.25
Rot. Bonds2

About 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone

2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone (PubChem CID 4182498) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone
PubChem CID4182498
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)n1c(=S)ccc2ccccc21
InChIInChI=1S/C17H13NOS/c19-16(12-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-17(18)20/h1-11H,12H2
InChIKeyPIVJWHYPXPNPBB-UHFFFAOYSA-N
XLogP4.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-indol-1-yl-2-phenylethanone
CID 118536016
naphthalene;2-phenylacetic acid
CID 174965541
lithium 2-phenylacetate
CID 19205773
calcium;hydride;2-phenylacetic acid
CID 173132712
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone?
The IUPAC name of 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone (CID 4182498) is 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone is O=C(Cc1ccccc1)n1c(=S)ccc2ccccc21.
What is the InChIKey of 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone?
The InChIKey is PIVJWHYPXPNPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-16(12-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-17(18)20/h1-11H,12H2.
What are the key properties of 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone?
2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone is sourced from PubChem (CID 4182498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).