2-nitro-5-thiomorpholin-4-ylphenol

C10H12N2O3S — CID 2799398

IUPAC2-nitro-5-thiomorpholin-4-ylphenol
SMILESO=[N+]([O-])c1ccc(N2CCSCC2)cc1O
InChIInChI=1S/C10H12N2O3S/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2
InChIKeyWPHUXQNQLFSVOT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.85
Rot. Bonds2

About 2-nitro-5-thiomorpholin-4-ylphenol

2-nitro-5-thiomorpholin-4-ylphenol (PubChem CID 2799398) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-nitro-5-thiomorpholin-4-ylphenol.

Molecular Properties

Compound Name2-nitro-5-thiomorpholin-4-ylphenol
PubChem CID2799398
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-nitro-5-thiomorpholin-4-ylphenol
SMILESO=[N+]([O-])c1ccc(N2CCSCC2)cc1O
InChIInChI=1S/C10H12N2O3S/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2
InChIKeyWPHUXQNQLFSVOT-UHFFFAOYSA-N
XLogP1.85
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-thiomorpholin-4-ylphenol?
The IUPAC name of 2-nitro-5-thiomorpholin-4-ylphenol (CID 2799398) is 2-nitro-5-thiomorpholin-4-ylphenol.
What is the SMILES notation for 2-nitro-5-thiomorpholin-4-ylphenol?
The canonical SMILES for 2-nitro-5-thiomorpholin-4-ylphenol is O=[N+]([O-])c1ccc(N2CCSCC2)cc1O.
What is the InChIKey of 2-nitro-5-thiomorpholin-4-ylphenol?
The InChIKey is WPHUXQNQLFSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2.
What are the key properties of 2-nitro-5-thiomorpholin-4-ylphenol?
2-nitro-5-thiomorpholin-4-ylphenol has a molecular weight of 240.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-thiomorpholin-4-ylphenol is sourced from PubChem (CID 2799398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).