3-ethoxy-2-phenylsulfanylpyridine

C13H13NOS — CID 817499

IUPAC3-ethoxy-2-phenylsulfanylpyridine
SMILESCCOc1cccnc1Sc1ccccc1
InChIInChI=1S/C13H13NOS/c1-2-15-12-9-6-10-14-13(12)16-11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyLGOBXVNKDRLIAO-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.63
Rot. Bonds4

About 3-ethoxy-2-phenylsulfanylpyridine

3-ethoxy-2-phenylsulfanylpyridine (PubChem CID 817499) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-ethoxy-2-phenylsulfanylpyridine.

Molecular Properties

Compound Name3-ethoxy-2-phenylsulfanylpyridine
PubChem CID817499
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-ethoxy-2-phenylsulfanylpyridine
SMILESCCOc1cccnc1Sc1ccccc1
InChIInChI=1S/C13H13NOS/c1-2-15-12-9-6-10-14-13(12)16-11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyLGOBXVNKDRLIAO-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-phenylsulfanylpyridine?
The IUPAC name of 3-ethoxy-2-phenylsulfanylpyridine (CID 817499) is 3-ethoxy-2-phenylsulfanylpyridine.
What is the SMILES notation for 3-ethoxy-2-phenylsulfanylpyridine?
The canonical SMILES for 3-ethoxy-2-phenylsulfanylpyridine is CCOc1cccnc1Sc1ccccc1.
What is the InChIKey of 3-ethoxy-2-phenylsulfanylpyridine?
The InChIKey is LGOBXVNKDRLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-15-12-9-6-10-14-13(12)16-11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 3-ethoxy-2-phenylsulfanylpyridine?
3-ethoxy-2-phenylsulfanylpyridine has a molecular weight of 231.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-phenylsulfanylpyridine is sourced from PubChem (CID 817499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).