5-(ethyldisulfanyl)-2-nitropyridine;propane

C10H16N2O2S2 — CID 176697685

IUPAC5-(ethyldisulfanyl)-2-nitropyridine;propane
SMILESCCC.CCSSc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C7H8N2O2S2.C3H8/c1-2-12-13-6-3-4-7(8-5-6)9(10)11;1-3-2/h3-5H,2H2,1H3;3H2,1-2H3
InChIKeyVCYDZYLHHXLUSP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds4

About 5-(ethyldisulfanyl)-2-nitropyridine;propane

5-(ethyldisulfanyl)-2-nitropyridine;propane (PubChem CID 176697685) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(ethyldisulfanyl)-2-nitropyridine;propane.

Molecular Properties

Compound Name5-(ethyldisulfanyl)-2-nitropyridine;propane
PubChem CID176697685
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name5-(ethyldisulfanyl)-2-nitropyridine;propane
SMILESCCC.CCSSc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C7H8N2O2S2.C3H8/c1-2-12-13-6-3-4-7(8-5-6)9(10)11;1-3-2/h3-5H,2H2,1H3;3H2,1-2H3
InChIKeyVCYDZYLHHXLUSP-UHFFFAOYSA-N
XLogP4.17
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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 5-(ethyldisulfanyl)-2-nitropyridine;propane?
The IUPAC name of 5-(ethyldisulfanyl)-2-nitropyridine;propane (CID 176697685) is 5-(ethyldisulfanyl)-2-nitropyridine;propane.
What is the SMILES notation for 5-(ethyldisulfanyl)-2-nitropyridine;propane?
The canonical SMILES for 5-(ethyldisulfanyl)-2-nitropyridine;propane is CCC.CCSSc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 5-(ethyldisulfanyl)-2-nitropyridine;propane?
The InChIKey is VCYDZYLHHXLUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S2.C3H8/c1-2-12-13-6-3-4-7(8-5-6)9(10)11;1-3-2/h3-5H,2H2,1H3;3H2,1-2H3.
What are the key properties of 5-(ethyldisulfanyl)-2-nitropyridine;propane?
5-(ethyldisulfanyl)-2-nitropyridine;propane has a molecular weight of 260.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethyldisulfanyl)-2-nitropyridine;propane is sourced from PubChem (CID 176697685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).