tetrakis(2-decylsulfanylacetate);tin(4+)

C48H92O8S4Sn — CID 162242326

IUPACtetrakis(2-decylsulfanylacetate);tin(4+)
SMILESCCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].[Sn+4]
InChIInChI=1S/4C12H24O2S.Sn/c4*1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;/h4*2-11H2,1H3,(H,13,14);/q;;;;+4/p-4
InChIKeyZWWCQOZARAWKSU-UHFFFAOYSA-J
MW1044.23 g/mol
LogP10.06
Rot. Bonds44

About tetrakis(2-decylsulfanylacetate);tin(4+)

tetrakis(2-decylsulfanylacetate);tin(4+) (PubChem CID 162242326) has the molecular formula C48H92O8S4Sn and a molecular weight of 1044.23 g/mol. Its IUPAC name is tetrakis(2-decylsulfanylacetate);tin(4+).

Molecular Properties

Compound Nametetrakis(2-decylsulfanylacetate);tin(4+)
PubChem CID162242326
Molecular FormulaC48H92O8S4Sn
Molecular Weight1044.23 g/mol
Exact Mass1044.47
IUPAC Nametetrakis(2-decylsulfanylacetate);tin(4+)
SMILESCCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].[Sn+4]
InChIInChI=1S/4C12H24O2S.Sn/c4*1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;/h4*2-11H2,1H3,(H,13,14);/q;;;;+4/p-4
InChIKeyZWWCQOZARAWKSU-UHFFFAOYSA-J
XLogP10.06
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds44
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.23
LogP ≤ 510.06
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

zinc bis(2-octadecylsulfanylacetate)
CID 87182065
2-decylsulfanylacetate;tributylstannanylium
CID 88839676
zinc bis(3-octadecylsulfanylpropanoate)
CID 18417194
calcium 3-dodecylsulfanylpropanoate
CID 21119810
tetrakis(2-(hexylsulfanylmethyl)prop-2-enoate);methane
CID 19613977
2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
dibutyltin(2+);bis(2-(6-methylheptylsulfanyl)acetate)
CID 22062378
methyl 2-hexylsulfanylacetate
CID 12820437
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyloctacosane
CID 87077758

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-decylsulfanylacetate);tin(4+)?
The IUPAC name of tetrakis(2-decylsulfanylacetate);tin(4+) (CID 162242326) is tetrakis(2-decylsulfanylacetate);tin(4+).
What is the SMILES notation for tetrakis(2-decylsulfanylacetate);tin(4+)?
The canonical SMILES for tetrakis(2-decylsulfanylacetate);tin(4+) is CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCSCC(=O)[O-].[Sn+4].
What is the InChIKey of tetrakis(2-decylsulfanylacetate);tin(4+)?
The InChIKey is ZWWCQOZARAWKSU-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H24O2S.Sn/c4*1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;/h4*2-11H2,1H3,(H,13,14);/q;;;;+4/p-4.
What are the key properties of tetrakis(2-decylsulfanylacetate);tin(4+)?
tetrakis(2-decylsulfanylacetate);tin(4+) has a molecular weight of 1044.23 g/mol, XLogP of 10.06, 44 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-decylsulfanylacetate);tin(4+) is sourced from PubChem (CID 162242326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).