4-morpholin-4-yl-1H-pyridine-2-thione

C9H12N2OS — CID 18930879

IUPAC4-morpholin-4-yl-1H-pyridine-2-thione
SMILESS=c1cc(N2CCOCC2)cc[nH]1
InChIInChI=1S/C9H12N2OS/c13-9-7-8(1-2-10-9)11-3-5-12-6-4-11/h1-2,7H,3-6H2,(H,10,13)
InChIKeyLFWSAEDECPYOBP-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.58
Rot. Bonds1

About 4-morpholin-4-yl-1H-pyridine-2-thione

4-morpholin-4-yl-1H-pyridine-2-thione (PubChem CID 18930879) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 4-morpholin-4-yl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-morpholin-4-yl-1H-pyridine-2-thione
PubChem CID18930879
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name4-morpholin-4-yl-1H-pyridine-2-thione
SMILESS=c1cc(N2CCOCC2)cc[nH]1
InChIInChI=1S/C9H12N2OS/c13-9-7-8(1-2-10-9)11-3-5-12-6-4-11/h1-2,7H,3-6H2,(H,10,13)
InChIKeyLFWSAEDECPYOBP-UHFFFAOYSA-N
XLogP1.58
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1H-pyridine-2-thione?
The IUPAC name of 4-morpholin-4-yl-1H-pyridine-2-thione (CID 18930879) is 4-morpholin-4-yl-1H-pyridine-2-thione.
What is the SMILES notation for 4-morpholin-4-yl-1H-pyridine-2-thione?
The canonical SMILES for 4-morpholin-4-yl-1H-pyridine-2-thione is S=c1cc(N2CCOCC2)cc[nH]1.
What is the InChIKey of 4-morpholin-4-yl-1H-pyridine-2-thione?
The InChIKey is LFWSAEDECPYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c13-9-7-8(1-2-10-9)11-3-5-12-6-4-11/h1-2,7H,3-6H2,(H,10,13).
What are the key properties of 4-morpholin-4-yl-1H-pyridine-2-thione?
4-morpholin-4-yl-1H-pyridine-2-thione has a molecular weight of 196.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1H-pyridine-2-thione is sourced from PubChem (CID 18930879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).