2-phenyl-2-pyridin-2-ylsulfanylacetic acid

C13H11NO2S — CID 18073234

IUPAC2-phenyl-2-pyridin-2-ylsulfanylacetic acid
SMILESO=C(O)C(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-13(16)12(10-6-2-1-3-7-10)17-11-8-4-5-9-14-11/h1-9,12H,(H,15,16)
InChIKeyHCZOQDHIUMBJMF-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.00
Rot. Bonds4

About 2-phenyl-2-pyridin-2-ylsulfanylacetic acid

2-phenyl-2-pyridin-2-ylsulfanylacetic acid (PubChem CID 18073234) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-ylsulfanylacetic acid
PubChem CID18073234
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-phenyl-2-pyridin-2-ylsulfanylacetic acid
SMILESO=C(O)C(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-13(16)12(10-6-2-1-3-7-10)17-11-8-4-5-9-14-11/h1-9,12H,(H,15,16)
InChIKeyHCZOQDHIUMBJMF-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,6-diethylphenyl)-2-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7037129
(2S)-2-phenyl-2-quinoxalin-2-ylsulfanylacetic acid
CID 736253
2-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
CID 43094741
(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
CID 102509250
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
ethyl 4-[(2-phenyl-2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 123132769
(2R)-2-[2-[(S)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427660
2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 5066196
(2R)-2-[2-[(R)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427658
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2R)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2-phenylacetic acid
CID 7922016

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-ylsulfanylacetic acid?
The IUPAC name of 2-phenyl-2-pyridin-2-ylsulfanylacetic acid (CID 18073234) is 2-phenyl-2-pyridin-2-ylsulfanylacetic acid.
What is the SMILES notation for 2-phenyl-2-pyridin-2-ylsulfanylacetic acid?
The canonical SMILES for 2-phenyl-2-pyridin-2-ylsulfanylacetic acid is O=C(O)C(Sc1ccccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-pyridin-2-ylsulfanylacetic acid?
The InChIKey is HCZOQDHIUMBJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(16)12(10-6-2-1-3-7-10)17-11-8-4-5-9-14-11/h1-9,12H,(H,15,16).
What are the key properties of 2-phenyl-2-pyridin-2-ylsulfanylacetic acid?
2-phenyl-2-pyridin-2-ylsulfanylacetic acid has a molecular weight of 245.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-ylsulfanylacetic acid is sourced from PubChem (CID 18073234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).