ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate

C15H15NO2S — CID 103822924

IUPACethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
SMILESCCOC(=O)C(Sc1ccncc1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-2-18-15(17)14(12-6-4-3-5-7-12)19-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3
InChIKeyDTAAFKDKSLXNTI-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.48
Rot. Bonds5

About ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate

ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate (PubChem CID 103822924) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
PubChem CID103822924
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Nameethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
SMILESCCOC(=O)C(Sc1ccncc1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-2-18-15(17)14(12-6-4-3-5-7-12)19-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3
InChIKeyDTAAFKDKSLXNTI-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
CID 106676883
ethyl 2-(4-amino-3-methylphenyl)sulfanyl-2-phenylacetate
CID 106676911
ethyl (2R)-2-phenyl-2-(trifluoromethylsulfanyl)acetate
CID 125473024
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetate
CID 103599961
ethyl 2-amino-2-phenylsulfanylacetate
CID 53443199
ethyl (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-phenylacetate
CID 129370374
ethyl (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
CID 720627
ethyl 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate
CID 106676893
ethyl 2-(1-aminopropan-2-ylsulfanyl)-2-phenylacetate
CID 106676902
ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-2-phenylacetate
CID 113218278
ethyl 2-(3-methylbutan-2-ylsulfanyl)-2-phenylacetate
CID 113244494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate?
The IUPAC name of ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate (CID 103822924) is ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate?
The canonical SMILES for ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate is CCOC(=O)C(Sc1ccncc1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate?
The InChIKey is DTAAFKDKSLXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-2-18-15(17)14(12-6-4-3-5-7-12)19-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate?
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate has a molecular weight of 273.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate is sourced from PubChem (CID 103822924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).