dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

C14H28O5S2Sn — CID 6455799

IUPACdibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
SMILESCCCC[Sn](=O)CCCC.O=C(CS)OCCOC(=O)CS
InChIInChI=1S/C6H10O4S2.2C4H9.O.Sn/c7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;;/h11-12H,1-4H2;2*1,3-4H2,2H3;;
InChIKeyCOOWYBMIGIBCDY-UHFFFAOYSA-N
MW459.22 g/mol
LogP2.94
Rot. Bonds11

About dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate (PubChem CID 6455799) has the molecular formula C14H28O5S2Sn and a molecular weight of 459.22 g/mol. Its IUPAC name is dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate.

Molecular Properties

Compound Namedibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
PubChem CID6455799
Molecular FormulaC14H28O5S2Sn
Molecular Weight459.22 g/mol
Exact Mass460.04
IUPAC Namedibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
SMILESCCCC[Sn](=O)CCCC.O=C(CS)OCCOC(=O)CS
InChIInChI=1S/C6H10O4S2.2C4H9.O.Sn/c7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;;/h11-12H,1-4H2;2*1,3-4H2,2H3;;
InChIKeyCOOWYBMIGIBCDY-UHFFFAOYSA-N
XLogP2.94
TPSA69.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethylene di(S-thioacetate)
CID 61059
Ethylene bis(3-mercaptopropionate)
CID 89735
Dibutyl 2,2'-dithiodiacetate
CID 90308
Ethylene glycol, ((dibutylstannylene)dithio)diacetate
CID 9575995
Propanoic acid, 3,3'-dithiobis-, 1,1'-diethyl ester
CID 74161
2-(2-Methoxyethoxy)ethyl 2-sulfanylacetate
CID 18369683
Propanoic acid, 3-mercapto-, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester
CID 111689
Acetic acid, 2-mercapto-, 2-butoxyethyl ester
CID 117979
8-Oxa-3,5-dithia-4-stannaundecan-1-ol, 4,4-dimethyl-9-oxo-, 1-propanoate
CID 9576330
Ethanol, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, 1,1',1''-triacetate
CID 100958
8-Oxa-3,5-dithia-4-stannaundecan-1-ol, 4-methyl-9-oxo-4-((2-(1-oxopropoxy)ethyl)thio)-, 1-propanoate
CID 105880
8-Oxa-3,5-dithia-4-stannadecan-1-ol, 4-((2-(acetyloxy)ethyl)thio)-4-butyl-9-oxo-, 1-acetate
CID 109987

Frequently Asked Questions

What is the IUPAC name of dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
The IUPAC name of dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate (CID 6455799) is dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate.
What is the SMILES notation for dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
The canonical SMILES for dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate is CCCC[Sn](=O)CCCC.O=C(CS)OCCOC(=O)CS.
What is the InChIKey of dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
The InChIKey is COOWYBMIGIBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2.2C4H9.O.Sn/c7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;;/h11-12H,1-4H2;2*1,3-4H2,2H3;;.
What are the key properties of dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate has a molecular weight of 459.22 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate is sourced from PubChem (CID 6455799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).