dodecyl-(2-sulfanylacetyl)oxytin

C14H28O2SSn — CID 88522402

IUPACdodecyl-(2-sulfanylacetyl)oxytin
SMILESCCCCCCCCCCCC[Sn]OC(=O)CS
InChIInChI=1S/C12H25.C2H4O2S.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3-2(4)1-5;/h1,3-12H2,2H3;5H,1H2,(H,3,4);/q;;+1/p-1
InChIKeyNNXWZHFXISPLJL-UHFFFAOYSA-M
MW379.15 g/mol
LogP4.42
Rot. Bonds13

About dodecyl-(2-sulfanylacetyl)oxytin

dodecyl-(2-sulfanylacetyl)oxytin (PubChem CID 88522402) has the molecular formula C14H28O2SSn and a molecular weight of 379.15 g/mol. Its IUPAC name is dodecyl-(2-sulfanylacetyl)oxytin.

Molecular Properties

Compound Namedodecyl-(2-sulfanylacetyl)oxytin
PubChem CID88522402
Molecular FormulaC14H28O2SSn
Molecular Weight379.15 g/mol
Exact Mass380.08
IUPAC Namedodecyl-(2-sulfanylacetyl)oxytin
SMILESCCCCCCCCCCCC[Sn]OC(=O)CS
InChIInChI=1S/C12H25.C2H4O2S.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3-2(4)1-5;/h1,3-12H2,2H3;5H,1H2,(H,3,4);/q;;+1/p-1
InChIKeyNNXWZHFXISPLJL-UHFFFAOYSA-M
XLogP4.42
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

acetyloxy(octyl)tin
CID 88684077
triacontyl 2-sulfanylacetate
CID 54050148
3-ethyloctan-3-yl 2-sulfanylacetate
CID 57294027
dec-1-enyl 2-sulfanylacetate
CID 175348578
dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)
CID 87537054
dodecyl(λ2-stannanyloxy)tin
CID 173054404
butyl-(butyl-λ2-stannanyl)oxytin;tetrakis(methyl 3-sulfanylpropanoate)
CID 173463090
calcium;dodecane-1-thiol;carbonate
CID 175411308
dibutyltin;bis(prop-2-enyl 2-sulfanylacetate)
CID 87478355
dodecyl-dimethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 102448520
octadecyl 2-sulfanylacetate;2,4,6-trimethylphenol
CID 87969151
methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)
CID 173443930

Frequently Asked Questions

What is the IUPAC name of dodecyl-(2-sulfanylacetyl)oxytin?
The IUPAC name of dodecyl-(2-sulfanylacetyl)oxytin (CID 88522402) is dodecyl-(2-sulfanylacetyl)oxytin.
What is the SMILES notation for dodecyl-(2-sulfanylacetyl)oxytin?
The canonical SMILES for dodecyl-(2-sulfanylacetyl)oxytin is CCCCCCCCCCCC[Sn]OC(=O)CS.
What is the InChIKey of dodecyl-(2-sulfanylacetyl)oxytin?
The InChIKey is NNXWZHFXISPLJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H25.C2H4O2S.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3-2(4)1-5;/h1,3-12H2,2H3;5H,1H2,(H,3,4);/q;;+1/p-1.
What are the key properties of dodecyl-(2-sulfanylacetyl)oxytin?
dodecyl-(2-sulfanylacetyl)oxytin has a molecular weight of 379.15 g/mol, XLogP of 4.42, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-(2-sulfanylacetyl)oxytin is sourced from PubChem (CID 88522402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).