ethyl 2-pyridin-2-ylsulfanylacetate

C9H11NO2S — CID 6464675

IUPACethyl 2-pyridin-2-ylsulfanylacetate
SMILESCCOC(=O)CSc1ccccn1
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKeyHSXSCFBUTNCJFR-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.74
Rot. Bonds4

About ethyl 2-pyridin-2-ylsulfanylacetate

ethyl 2-pyridin-2-ylsulfanylacetate (PubChem CID 6464675) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is ethyl 2-pyridin-2-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-pyridin-2-ylsulfanylacetate
PubChem CID6464675
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameethyl 2-pyridin-2-ylsulfanylacetate
SMILESCCOC(=O)CSc1ccccn1
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKeyHSXSCFBUTNCJFR-UHFFFAOYSA-N
XLogP1.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544
ethyl 3-methyl-5-(1-pyridin-2-ylsulfanylpropan-2-ylamino)pentanoate
CID 123744709
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823
ethyl 2-[(5-phenyl-1H-pyrazol-3-yl)sulfanyl]acetate
CID 118479880
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-2-ylsulfanylacetate?
The IUPAC name of ethyl 2-pyridin-2-ylsulfanylacetate (CID 6464675) is ethyl 2-pyridin-2-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-pyridin-2-ylsulfanylacetate?
The canonical SMILES for ethyl 2-pyridin-2-ylsulfanylacetate is CCOC(=O)CSc1ccccn1.
What is the InChIKey of ethyl 2-pyridin-2-ylsulfanylacetate?
The InChIKey is HSXSCFBUTNCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-pyridin-2-ylsulfanylacetate?
ethyl 2-pyridin-2-ylsulfanylacetate has a molecular weight of 197.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-2-ylsulfanylacetate is sourced from PubChem (CID 6464675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).