tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate

C72H140O8S4Sn — CID 139725694

IUPACtris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate
SMILESCCCCCCCCCCCCCCCCSCC(=O)O[Sn](OC(=O)CSCCCCCCCCCCCCCCCC)(OC(=O)CSCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCCCC
InChIInChI=1S/4C18H36O2S.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4
InChIKeyUTIJNCACUPNYMB-UHFFFAOYSA-J
MW1380.88 g/mol
LogP24.45
Rot. Bonds72

About tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate

tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate (PubChem CID 139725694) has the molecular formula C72H140O8S4Sn and a molecular weight of 1380.88 g/mol. Its IUPAC name is tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate.

Molecular Properties

Compound Nametris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate
PubChem CID139725694
Molecular FormulaC72H140O8S4Sn
Molecular Weight1380.88 g/mol
Exact Mass1380.85
IUPAC Nametris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate
SMILESCCCCCCCCCCCCCCCCSCC(=O)O[Sn](OC(=O)CSCCCCCCCCCCCCCCCC)(OC(=O)CSCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCCCC
InChIInChI=1S/4C18H36O2S.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4
InChIKeyUTIJNCACUPNYMB-UHFFFAOYSA-J
XLogP24.45
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds72
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.88
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[dodecyl-bis[(2-hexylsulfanylacetyl)oxy]stannyl] 2-hexylsulfanylacetate
CID 139892339
[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate
CID 139892414
[butyl-bis[(2-octylsulfanylacetyl)oxy]stannyl] 2-octylsulfanylacetate
CID 139668459
methyl 2-hexylsulfanylacetate
CID 12820437
[(2-butylsulfanylacetyl)oxy-didodecylstannyl] 2-butylsulfanylacetate
CID 139785520
6-bromohexyl 2-tetradecylsulfanylacetate
CID 177036222
2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
tetrakis(2-decylsulfanylacetate);tin(4+)
CID 162242326
zinc bis(2-octadecylsulfanylacetate)
CID 87182065
tridecyl 2-(2-oxo-2-tridecoxyethyl)sulfanylacetate
CID 134207809
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838

Frequently Asked Questions

What is the IUPAC name of tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate?
The IUPAC name of tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate (CID 139725694) is tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate.
What is the SMILES notation for tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate?
The canonical SMILES for tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate is CCCCCCCCCCCCCCCCSCC(=O)O[Sn](OC(=O)CSCCCCCCCCCCCCCCCC)(OC(=O)CSCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCCCC.
What is the InChIKey of tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate?
The InChIKey is UTIJNCACUPNYMB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H36O2S.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4.
What are the key properties of tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate?
tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate has a molecular weight of 1380.88 g/mol, XLogP of 24.45, 72 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate is sourced from PubChem (CID 139725694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).