2-methoxyethyl pyridin-2-yloxysulfanylformate

C9H11NO4S — CID 22101681

IUPAC2-methoxyethyl pyridin-2-yloxysulfanylformate
SMILESCOCCOC(=O)SOc1ccccn1
InChIInChI=1S/C9H11NO4S/c1-12-6-7-13-9(11)15-14-8-4-2-3-5-10-8/h2-5H,6-7H2,1H3
InChIKeyTZRQMNNEDBHVJQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.89
Rot. Bonds5

About 2-methoxyethyl pyridin-2-yloxysulfanylformate

2-methoxyethyl pyridin-2-yloxysulfanylformate (PubChem CID 22101681) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-methoxyethyl pyridin-2-yloxysulfanylformate.

Molecular Properties

Compound Name2-methoxyethyl pyridin-2-yloxysulfanylformate
PubChem CID22101681
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-methoxyethyl pyridin-2-yloxysulfanylformate
SMILESCOCCOC(=O)SOc1ccccn1
InChIInChI=1S/C9H11NO4S/c1-12-6-7-13-9(11)15-14-8-4-2-3-5-10-8/h2-5H,6-7H2,1H3
InChIKeyTZRQMNNEDBHVJQ-UHFFFAOYSA-N
XLogP1.89
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl pyridin-2-yloxysulfanylformate?
The IUPAC name of 2-methoxyethyl pyridin-2-yloxysulfanylformate (CID 22101681) is 2-methoxyethyl pyridin-2-yloxysulfanylformate.
What is the SMILES notation for 2-methoxyethyl pyridin-2-yloxysulfanylformate?
The canonical SMILES for 2-methoxyethyl pyridin-2-yloxysulfanylformate is COCCOC(=O)SOc1ccccn1.
What is the InChIKey of 2-methoxyethyl pyridin-2-yloxysulfanylformate?
The InChIKey is TZRQMNNEDBHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-12-6-7-13-9(11)15-14-8-4-2-3-5-10-8/h2-5H,6-7H2,1H3.
What are the key properties of 2-methoxyethyl pyridin-2-yloxysulfanylformate?
2-methoxyethyl pyridin-2-yloxysulfanylformate has a molecular weight of 229.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl pyridin-2-yloxysulfanylformate is sourced from PubChem (CID 22101681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).