butyl-octyl-sulfanylidenetin

C12H26SSn — CID 88823934

IUPACbutyl-octyl-sulfanylidenetin
SMILESCCCCCCCC[Sn](=S)CCCC
InChIInChI=1S/C8H17.C4H9.S.Sn/c1-3-5-7-8-6-4-2;1-3-4-2;;/h1,3-8H2,2H3;1,3-4H2,2H3;;
InChIKeyAXWSMZOMCUVMKM-UHFFFAOYSA-N
MW321.12 g/mol
LogP5.34
Rot. Bonds10

About butyl-octyl-sulfanylidenetin

butyl-octyl-sulfanylidenetin (PubChem CID 88823934) has the molecular formula C12H26SSn and a molecular weight of 321.12 g/mol. Its IUPAC name is butyl-octyl-sulfanylidenetin.

Molecular Properties

Compound Namebutyl-octyl-sulfanylidenetin
PubChem CID88823934
Molecular FormulaC12H26SSn
Molecular Weight321.12 g/mol
Exact Mass322.08
IUPAC Namebutyl-octyl-sulfanylidenetin
SMILESCCCCCCCC[Sn](=S)CCCC
InChIInChI=1S/C8H17.C4H9.S.Sn/c1-3-5-7-8-6-4-2;1-3-4-2;;/h1,3-8H2,2H3;1,3-4H2,2H3;;
InChIKeyAXWSMZOMCUVMKM-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.12
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-octadecyl-sulfanylidenetin
CID 154167251
CID 173415754
CID 173415754
CID 154193229
CID 154193229
CID 173307482
CID 173307482
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
henoctacontane
CID 22086342
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of butyl-octyl-sulfanylidenetin?
The IUPAC name of butyl-octyl-sulfanylidenetin (CID 88823934) is butyl-octyl-sulfanylidenetin.
What is the SMILES notation for butyl-octyl-sulfanylidenetin?
The canonical SMILES for butyl-octyl-sulfanylidenetin is CCCCCCCC[Sn](=S)CCCC.
What is the InChIKey of butyl-octyl-sulfanylidenetin?
The InChIKey is AXWSMZOMCUVMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H9.S.Sn/c1-3-5-7-8-6-4-2;1-3-4-2;;/h1,3-8H2,2H3;1,3-4H2,2H3;;.
What are the key properties of butyl-octyl-sulfanylidenetin?
butyl-octyl-sulfanylidenetin has a molecular weight of 321.12 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-octyl-sulfanylidenetin is sourced from PubChem (CID 88823934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).