2-ethoxy-1H-pyridine-4-thione

C7H9NOS — CID 145084329

IUPAC2-ethoxy-1H-pyridine-4-thione
SMILESCCOc1cc(=S)cc[nH]1
InChIInChI=1S/C7H9NOS/c1-2-9-7-5-6(10)3-4-8-7/h3-5H,2H2,1H3,(H,8,10)
InChIKeySAJPQGWXNLZOIL-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.14
Rot. Bonds2

About 2-ethoxy-1H-pyridine-4-thione

2-ethoxy-1H-pyridine-4-thione (PubChem CID 145084329) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-ethoxy-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-ethoxy-1H-pyridine-4-thione
PubChem CID145084329
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-ethoxy-1H-pyridine-4-thione
SMILESCCOc1cc(=S)cc[nH]1
InChIInChI=1S/C7H9NOS/c1-2-9-7-5-6(10)3-4-8-7/h3-5H,2H2,1H3,(H,8,10)
InChIKeySAJPQGWXNLZOIL-UHFFFAOYSA-N
XLogP2.14
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-sulfanylidene-1H-pyridine-2-carboxylate
CID 119084000
2-(3-ethoxyphenyl)-1H-pyridine-4-thione
CID 106519869
(4-sulfanylidene-1H-pyridin-2-yl) hydrogen carbonate
CID 70438142
2-tert-butyl-1H-pyridine-4-thione
CID 123650707
2-prop-2-enyl-1H-pyridine-4-thione
CID 67377735
6-ethoxy-3-[4-(6-ethoxy-4-oxo-2-sulfanylidene-1H-pyrimidine-3-carbonyl)benzoyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 10672180
3-bromo-6-ethoxy-1H-pyridin-2-one
CID 90306952
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
3-bromo-4-ethoxy-1H-pyridin-2-one
CID 21453478
3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902
1H-pyrrol-2-yloxymethanamine
CID 142780412
2-ethoxy-8-iodo-1H-quinolin-4-one
CID 143166869

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1H-pyridine-4-thione?
The IUPAC name of 2-ethoxy-1H-pyridine-4-thione (CID 145084329) is 2-ethoxy-1H-pyridine-4-thione.
What is the SMILES notation for 2-ethoxy-1H-pyridine-4-thione?
The canonical SMILES for 2-ethoxy-1H-pyridine-4-thione is CCOc1cc(=S)cc[nH]1.
What is the InChIKey of 2-ethoxy-1H-pyridine-4-thione?
The InChIKey is SAJPQGWXNLZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-9-7-5-6(10)3-4-8-7/h3-5H,2H2,1H3,(H,8,10).
What are the key properties of 2-ethoxy-1H-pyridine-4-thione?
2-ethoxy-1H-pyridine-4-thione has a molecular weight of 155.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1H-pyridine-4-thione is sourced from PubChem (CID 145084329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).