ethyl naphthalen-2-ylsulfanylformate

C13H12O2S — CID 2732453

IUPACethyl naphthalen-2-ylsulfanylformate
SMILESCCOC(=O)Sc1ccc2ccccc2c1
InChIInChI=1S/C13H12O2S/c1-2-15-13(14)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyOAWOHJSTHTWYHW-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.09
Rot. Bonds2

About ethyl naphthalen-2-ylsulfanylformate

ethyl naphthalen-2-ylsulfanylformate (PubChem CID 2732453) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is ethyl naphthalen-2-ylsulfanylformate.

Molecular Properties

Compound Nameethyl naphthalen-2-ylsulfanylformate
PubChem CID2732453
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Nameethyl naphthalen-2-ylsulfanylformate
SMILESCCOC(=O)Sc1ccc2ccccc2c1
InChIInChI=1S/C13H12O2S/c1-2-15-13(14)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyOAWOHJSTHTWYHW-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl naphthalen-2-ylsulfanylformate?
The IUPAC name of ethyl naphthalen-2-ylsulfanylformate (CID 2732453) is ethyl naphthalen-2-ylsulfanylformate.
What is the SMILES notation for ethyl naphthalen-2-ylsulfanylformate?
The canonical SMILES for ethyl naphthalen-2-ylsulfanylformate is CCOC(=O)Sc1ccc2ccccc2c1.
What is the InChIKey of ethyl naphthalen-2-ylsulfanylformate?
The InChIKey is OAWOHJSTHTWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-15-13(14)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3.
What are the key properties of ethyl naphthalen-2-ylsulfanylformate?
ethyl naphthalen-2-ylsulfanylformate has a molecular weight of 232.30 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl naphthalen-2-ylsulfanylformate is sourced from PubChem (CID 2732453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).