chloro(diethyl)stannanylium;1-oxidopyridine-2-thione

C9H14ClNOSSn — CID 15972061

IUPACchloro(diethyl)stannanylium;1-oxidopyridine-2-thione
SMILESCC[Sn+](Cl)CC.[O-]n1ccccc1=S
InChIInChI=1S/C5H4NOS.2C2H5.ClH.Sn/c7-6-4-2-1-3-5(6)8;2*1-2;;/h1-4H;2*1H2,2H3;1H;/q-1;;;;+2/p-1
InChIKeyDONSDUVLGIBMTG-UHFFFAOYSA-M
MW338.45 g/mol
LogP3.82
Rot. Bonds2

About chloro(diethyl)stannanylium;1-oxidopyridine-2-thione

chloro(diethyl)stannanylium;1-oxidopyridine-2-thione (PubChem CID 15972061) has the molecular formula C9H14ClNOSSn and a molecular weight of 338.45 g/mol. Its IUPAC name is chloro(diethyl)stannanylium;1-oxidopyridine-2-thione.

Molecular Properties

Compound Namechloro(diethyl)stannanylium;1-oxidopyridine-2-thione
PubChem CID15972061
Molecular FormulaC9H14ClNOSSn
Molecular Weight338.45 g/mol
Exact Mass338.95
IUPAC Namechloro(diethyl)stannanylium;1-oxidopyridine-2-thione
SMILESCC[Sn+](Cl)CC.[O-]n1ccccc1=S
InChIInChI=1S/C5H4NOS.2C2H5.ClH.Sn/c7-6-4-2-1-3-5(6)8;2*1-2;;/h1-4H;2*1H2,2H3;1H;/q-1;;;;+2/p-1
InChIKeyDONSDUVLGIBMTG-UHFFFAOYSA-M
XLogP3.82
TPSA27.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro(diethyl)stannanylium;1-oxidopyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro(diethyl)stannanylium;1-oxidopyridine-2-thione?
The IUPAC name of chloro(diethyl)stannanylium;1-oxidopyridine-2-thione (CID 15972061) is chloro(diethyl)stannanylium;1-oxidopyridine-2-thione.
What is the SMILES notation for chloro(diethyl)stannanylium;1-oxidopyridine-2-thione?
The canonical SMILES for chloro(diethyl)stannanylium;1-oxidopyridine-2-thione is CC[Sn+](Cl)CC.[O-]n1ccccc1=S.
What is the InChIKey of chloro(diethyl)stannanylium;1-oxidopyridine-2-thione?
The InChIKey is DONSDUVLGIBMTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4NOS.2C2H5.ClH.Sn/c7-6-4-2-1-3-5(6)8;2*1-2;;/h1-4H;2*1H2,2H3;1H;/q-1;;;;+2/p-1.
What are the key properties of chloro(diethyl)stannanylium;1-oxidopyridine-2-thione?
chloro(diethyl)stannanylium;1-oxidopyridine-2-thione has a molecular weight of 338.45 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diethyl)stannanylium;1-oxidopyridine-2-thione is sourced from PubChem (CID 15972061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).