ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate

C9H10ClNO2S — CID 71304250

IUPACethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
SMILESCCOC(=O)CSc1cc(Cl)ccn1
InChIInChI=1S/C9H10ClNO2S/c1-2-13-9(12)6-14-8-5-7(10)3-4-11-8/h3-5H,2,6H2,1H3
InChIKeyRGKUZEZQHXSHOM-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.39
Rot. Bonds4

About ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate

ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate (PubChem CID 71304250) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
PubChem CID71304250
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Nameethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
SMILESCCOC(=O)CSc1cc(Cl)ccn1
InChIInChI=1S/C9H10ClNO2S/c1-2-13-9(12)6-14-8-5-7(10)3-4-11-8/h3-5H,2,6H2,1H3
InChIKeyRGKUZEZQHXSHOM-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
ethyl 2-(3-chlorophenyl)sulfanylacetate
CID 62648053
ethyl 3-(4-chloro-2-pyridinyl)-3-oxopropanoate
CID 53404617
ethyl N-[(4-chloro-2-pyridinyl)sulfanylcarbamoyl]carbamate
CID 141485768
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570
ethyl 2-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylacetate
CID 80950959
ethyl 4-(4-chloro-2-pyridinyl)-3-sulfanylidenebutanoate
CID 159536334
methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
CID 114090864
ethyl 2-[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]sulfanylacetate
CID 58904976
ethyl 2-[(5-phenyl-1H-pyrazol-3-yl)sulfanyl]acetate
CID 118479880
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate (CID 71304250) is ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate is CCOC(=O)CSc1cc(Cl)ccn1.
What is the InChIKey of ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate?
The InChIKey is RGKUZEZQHXSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-2-13-9(12)6-14-8-5-7(10)3-4-11-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate?
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate has a molecular weight of 231.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 71304250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).