ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate

C13H14N2O2S — CID 118418578

IUPACethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc2ccccc2nc1C
InChIInChI=1S/C13H14N2O2S/c1-3-17-12(16)8-18-13-9(2)14-10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3
InChIKeyYJOMUQWDBQWUBQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate

ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate (PubChem CID 118418578) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate
PubChem CID118418578
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc2ccccc2nc1C
InChIInChI=1S/C13H14N2O2S/c1-3-17-12(16)8-18-13-9(2)14-10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3
InChIKeyYJOMUQWDBQWUBQ-UHFFFAOYSA-N
XLogP2.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate (CID 118418578) is ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc2ccccc2nc1C.
What is the InChIKey of ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate?
The InChIKey is YJOMUQWDBQWUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-17-12(16)8-18-13-9(2)14-10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate?
ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate has a molecular weight of 262.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylquinoxalin-2-yl)sulfanylacetate is sourced from PubChem (CID 118418578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).