S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate

C18H15NO2S — CID 10267346

IUPACS-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate
SMILESCc1ccc(SC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C18H15NO2S/c1-13-7-9-15(10-8-13)22-17(20)12-21-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3
InChIKeyGNMBGTSYRHMXJT-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.24
Rot. Bonds4

About S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate

S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate (PubChem CID 10267346) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate.

Molecular Properties

Compound NameS-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate
PubChem CID10267346
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC NameS-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate
SMILESCc1ccc(SC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C18H15NO2S/c1-13-7-9-15(10-8-13)22-17(20)12-21-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3
InChIKeyGNMBGTSYRHMXJT-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-quinolin-8-yloxyacetate
CID 6950984
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
CID 79622266
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-quinolin-8-yloxyacetamide
CID 9453515
8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
CID 3611795
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
CID 71320098

Frequently Asked Questions

What is the IUPAC name of S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate?
The IUPAC name of S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate (CID 10267346) is S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate.
What is the SMILES notation for S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate?
The canonical SMILES for S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate is Cc1ccc(SC(=O)COc2cccc3cccnc23)cc1.
What is the InChIKey of S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate?
The InChIKey is GNMBGTSYRHMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13-7-9-15(10-8-13)22-17(20)12-21-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3.
What are the key properties of S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate?
S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate has a molecular weight of 309.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate is sourced from PubChem (CID 10267346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).