tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane

C26H52O8S6Sb2 — CID 173428309

IUPACtetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane
SMILESCCCCOC(=O)CS.CCCCOC(=O)CS.CCCCOC(=O)CS.CCCCOC(=O)CS.S=[Sb]CC[Sb]=S
InChIInChI=1S/4C6H12O2S.C2H4.2S.2Sb/c4*1-2-3-4-8-6(7)5-9;1-2;;;;/h4*9H,2-5H2,1H3;1-2H2;;;;
InChIKeyAEEAARBHHJOPJP-UHFFFAOYSA-N
MW928.62 g/mol
LogP6.49
Rot. Bonds19

About tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane

tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane (PubChem CID 173428309) has the molecular formula C26H52O8S6Sb2 and a molecular weight of 928.62 g/mol. Its IUPAC name is tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane.

Molecular Properties

Compound Nametetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane
PubChem CID173428309
Molecular FormulaC26H52O8S6Sb2
Molecular Weight928.62 g/mol
Exact Mass926.01
IUPAC Nametetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane
SMILESCCCCOC(=O)CS.CCCCOC(=O)CS.CCCCOC(=O)CS.CCCCOC(=O)CS.S=[Sb]CC[Sb]=S
InChIInChI=1S/4C6H12O2S.C2H4.2S.2Sb/c4*1-2-3-4-8-6(7)5-9;1-2;;;;/h4*9H,2-5H2,1H3;1-2H2;;;;
InChIKeyAEEAARBHHJOPJP-UHFFFAOYSA-N
XLogP6.49
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.62
LogP ≤ 56.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

triacontyl 2-sulfanylacetate
CID 54050148
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
bis(butyl 3-sulfanylpropanoate);zinc
CID 87181906
dibutyl heptadecanedioate
CID 87117348
dodecyl-dimethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 102448520
magnesium;dibutyl carbonate;hydride
CID 174500135
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
octadecyl 2-sulfanylacetate;2,4,6-trimethylphenol
CID 87969151
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691
dibutyl hex-3-ynedioate
CID 87458228
butyl nonadecanoate
CID 3015296

Frequently Asked Questions

What is the IUPAC name of tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane?
The IUPAC name of tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane (CID 173428309) is tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane.
What is the SMILES notation for tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane?
The canonical SMILES for tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane is CCCCOC(=O)CS.CCCCOC(=O)CS.CCCCOC(=O)CS.CCCCOC(=O)CS.S=[Sb]CC[Sb]=S.
What is the InChIKey of tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane?
The InChIKey is AEEAARBHHJOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H12O2S.C2H4.2S.2Sb/c4*1-2-3-4-8-6(7)5-9;1-2;;;;/h4*9H,2-5H2,1H3;1-2H2;;;;.
What are the key properties of tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane?
tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane has a molecular weight of 928.62 g/mol, XLogP of 6.49, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane is sourced from PubChem (CID 173428309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).