butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin

C6H14OS2Sn — CID 16684526

IUPACbutyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin
SMILESCCCC[Sn](=S)SCCO
InChIInChI=1S/C4H9.C2H6OS.S.Sn/c1-3-4-2;3-1-2-4;;/h1,3-4H2,2H3;3-4H,1-2H2;;/q;;;+1/p-1
InChIKeyQOKSKFRCALBLJC-UHFFFAOYSA-M
MW285.02 g/mol
LogP2.20
Rot. Bonds6

About butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin

butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin (PubChem CID 16684526) has the molecular formula C6H14OS2Sn and a molecular weight of 285.02 g/mol. Its IUPAC name is butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin.

Molecular Properties

Compound Namebutyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin
PubChem CID16684526
Molecular FormulaC6H14OS2Sn
Molecular Weight285.02 g/mol
Exact Mass285.95
IUPAC Namebutyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin
SMILESCCCC[Sn](=S)SCCO
InChIInChI=1S/C4H9.C2H6OS.S.Sn/c1-3-4-2;3-1-2-4;;/h1,3-4H2,2H3;3-4H,1-2H2;;/q;;;+1/p-1
InChIKeyQOKSKFRCALBLJC-UHFFFAOYSA-M
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin?
The IUPAC name of butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin (CID 16684526) is butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin.
What is the SMILES notation for butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin?
The canonical SMILES for butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin is CCCC[Sn](=S)SCCO.
What is the InChIKey of butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin?
The InChIKey is QOKSKFRCALBLJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.C2H6OS.S.Sn/c1-3-4-2;3-1-2-4;;/h1,3-4H2,2H3;3-4H,1-2H2;;/q;;;+1/p-1.
What are the key properties of butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin?
butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin has a molecular weight of 285.02 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-hydroxyethylsulfanyl)-sulfanylidenetin is sourced from PubChem (CID 16684526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).