[[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate

C44H64N4O10S4Sn4 — CID 16686332

IUPAC[[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCC[Sn](CC)(OC(=O)c1cccnc1SC)O[Sn](CC)(CC)OC(=O)c1cccnc1SC.CC[Sn](CC)(OC(=O)c1cccnc1SC)O[Sn](CC)(CC)OC(=O)c1cccnc1SC
InChIInChI=1S/4C7H7NO2S.8C2H5.2O.4Sn/c4*1-11-6-5(7(9)10)3-2-4-8-6;8*1-2;;;;;;/h4*2-4H,1H3,(H,9,10);8*1H2,2H3;;;;;;/q;;;;;;;;;;;;;;4*+1/p-4
InChIKeyUIKJZRBVGVXYJE-UHFFFAOYSA-J
MW1412.13 g/mol
LogP11.83
Rot. Bonds24

About [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate

[[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate (PubChem CID 16686332) has the molecular formula C44H64N4O10S4Sn4 and a molecular weight of 1412.13 g/mol. Its IUPAC name is [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name[[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate
PubChem CID16686332
Molecular FormulaC44H64N4O10S4Sn4
Molecular Weight1412.13 g/mol
Exact Mass1415.96
IUPAC Name[[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCC[Sn](CC)(OC(=O)c1cccnc1SC)O[Sn](CC)(CC)OC(=O)c1cccnc1SC.CC[Sn](CC)(OC(=O)c1cccnc1SC)O[Sn](CC)(CC)OC(=O)c1cccnc1SC
InChIInChI=1S/4C7H7NO2S.8C2H5.2O.4Sn/c4*1-11-6-5(7(9)10)3-2-4-8-6;8*1-2;;;;;;/h4*2-4H,1H3,(H,9,10);8*1H2,2H3;;;;;;/q;;;;;;;;;;;;;;4*+1/p-4
InChIKeyUIKJZRBVGVXYJE-UHFFFAOYSA-J
XLogP11.83
TPSA175.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.13
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Related Compounds

[3-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]phenyl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 3382488
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8764978
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765128
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572607
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765544
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343773
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9344004
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765097
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 4781705
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343862

Frequently Asked Questions

What is the IUPAC name of [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate (CID 16686332) is [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate is CC[Sn](CC)(OC(=O)c1cccnc1SC)O[Sn](CC)(CC)OC(=O)c1cccnc1SC.CC[Sn](CC)(OC(=O)c1cccnc1SC)O[Sn](CC)(CC)OC(=O)c1cccnc1SC.
What is the InChIKey of [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate?
The InChIKey is UIKJZRBVGVXYJE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H7NO2S.8C2H5.2O.4Sn/c4*1-11-6-5(7(9)10)3-2-4-8-6;8*1-2;;;;;;/h4*2-4H,1H3,(H,9,10);8*1H2,2H3;;;;;;/q;;;;;;;;;;;;;;4*+1/p-4.
What are the key properties of [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate?
[[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate has a molecular weight of 1412.13 g/mol, XLogP of 11.83, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [[diethyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl]oxy-diethylstannyl] 2-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 16686332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).