dodecyl-octadecyl-sulfanylidenetin

C30H62SSn — CID 154167251

IUPACdodecyl-octadecyl-sulfanylidenetin
SMILESCCCCCCCCCCCCCCCCCC[Sn](=S)CCCCCCCCCCCC
InChIInChI=1S/C18H37.C12H25.S.Sn/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-18H2,2H3;1,3-12H2,2H3;;
InChIKeyUQXFICGECWDATD-UHFFFAOYSA-N
MW573.60 g/mol
LogP12.36
Rot. Bonds28

About dodecyl-octadecyl-sulfanylidenetin

dodecyl-octadecyl-sulfanylidenetin (PubChem CID 154167251) has the molecular formula C30H62SSn and a molecular weight of 573.60 g/mol. Its IUPAC name is dodecyl-octadecyl-sulfanylidenetin.

Molecular Properties

Compound Namedodecyl-octadecyl-sulfanylidenetin
PubChem CID154167251
Molecular FormulaC30H62SSn
Molecular Weight573.60 g/mol
Exact Mass574.36
IUPAC Namedodecyl-octadecyl-sulfanylidenetin
SMILESCCCCCCCCCCCCCCCCCC[Sn](=S)CCCCCCCCCCCC
InChIInChI=1S/C18H37.C12H25.S.Sn/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-18H2,2H3;1,3-12H2,2H3;;
InChIKeyUQXFICGECWDATD-UHFFFAOYSA-N
XLogP12.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.60
LogP ≤ 512.36
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

butyl-octyl-sulfanylidenetin
CID 88823934
CID 154193229
CID 154193229
CID 173307482
CID 173307482
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of dodecyl-octadecyl-sulfanylidenetin?
The IUPAC name of dodecyl-octadecyl-sulfanylidenetin (CID 154167251) is dodecyl-octadecyl-sulfanylidenetin.
What is the SMILES notation for dodecyl-octadecyl-sulfanylidenetin?
The canonical SMILES for dodecyl-octadecyl-sulfanylidenetin is CCCCCCCCCCCCCCCCCC[Sn](=S)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-octadecyl-sulfanylidenetin?
The InChIKey is UQXFICGECWDATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37.C12H25.S.Sn/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-18H2,2H3;1,3-12H2,2H3;;.
What are the key properties of dodecyl-octadecyl-sulfanylidenetin?
dodecyl-octadecyl-sulfanylidenetin has a molecular weight of 573.60 g/mol, XLogP of 12.36, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-octadecyl-sulfanylidenetin is sourced from PubChem (CID 154167251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).