dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)

C16H34O4S4Sn — CID 87537054

IUPACdibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)
SMILESCCCC[Sn]CCCC.O=C(CS)OCCS.O=C(CS)OCCS
InChIInChI=1S/2C4H8O2S2.2C4H9.Sn/c2*5-4(3-8)6-1-2-7;2*1-3-4-2;/h2*7-8H,1-3H2;2*1,3-4H2,2H3;
InChIKeyZLXLQZLZLKNUSQ-UHFFFAOYSA-N
MW537.42 g/mol
LogP3.91
Rot. Bonds12

About dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)

dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate) (PubChem CID 87537054) has the molecular formula C16H34O4S4Sn and a molecular weight of 537.42 g/mol. Its IUPAC name is dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate).

Molecular Properties

Compound Namedibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)
PubChem CID87537054
Molecular FormulaC16H34O4S4Sn
Molecular Weight537.42 g/mol
Exact Mass538.04
IUPAC Namedibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)
SMILESCCCC[Sn]CCCC.O=C(CS)OCCS.O=C(CS)OCCS
InChIInChI=1S/2C4H8O2S2.2C4H9.Sn/c2*5-4(3-8)6-1-2-7;2*1-3-4-2;/h2*7-8H,1-3H2;2*1,3-4H2,2H3;
InChIKeyZLXLQZLZLKNUSQ-UHFFFAOYSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.42
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

dibutyltin;bis(prop-2-enyl 2-sulfanylacetate)
CID 87478355
triacontyl 2-sulfanylacetate
CID 54050148
(3-butoxy-3-oxopropyl)-butyltin
CID 88668068
methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)
CID 173443930
CID 173449711
CID 173449711
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane
CID 173428309
3-butylsulfanylhexyl 2-sulfanylacetate
CID 139697656
dibutyltin;bis(ethyl hexanoate)
CID 87061264
bis(butyl 3-sulfanylpropanoate);zinc
CID 87181906
dodecyl-dimethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 102448520
octadecyl 2-sulfanylacetate;2,4,6-trimethylphenol
CID 87969151

Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)?
The IUPAC name of dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate) (CID 87537054) is dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate).
What is the SMILES notation for dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)?
The canonical SMILES for dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate) is CCCC[Sn]CCCC.O=C(CS)OCCS.O=C(CS)OCCS.
What is the InChIKey of dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)?
The InChIKey is ZLXLQZLZLKNUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2S2.2C4H9.Sn/c2*5-4(3-8)6-1-2-7;2*1-3-4-2;/h2*7-8H,1-3H2;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)?
dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate) has a molecular weight of 537.42 g/mol, XLogP of 3.91, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate) is sourced from PubChem (CID 87537054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).