tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane

C19H40SSn — CID 11122627

IUPACtributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane
SMILESC/C=C(\SC(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13S.3C4H9.Sn/c1-5-6-8-7(2,3)4;3*1-3-4-2;/h5H,1-4H3;3*1,3-4H2,2H3;
InChIKeyQJOAPXPJZKFRRH-UHFFFAOYSA-N
MW419.31 g/mol
LogP7.81
Rot. Bonds11

About tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane

tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane (PubChem CID 11122627) has the molecular formula C19H40SSn and a molecular weight of 419.31 g/mol. Its IUPAC name is tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane
PubChem CID11122627
Molecular FormulaC19H40SSn
Molecular Weight419.31 g/mol
Exact Mass420.19
IUPAC Nametributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane
SMILESC/C=C(\SC(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13S.3C4H9.Sn/c1-5-6-8-7(2,3)4;3*1-3-4-2;/h5H,1-4H3;3*1,3-4H2,2H3;
InChIKeyQJOAPXPJZKFRRH-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane (CID 11122627) is tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane is C/C=C(\SC(C)(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane?
The InChIKey is QJOAPXPJZKFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13S.3C4H9.Sn/c1-5-6-8-7(2,3)4;3*1-3-4-2;/h5H,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane?
tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane has a molecular weight of 419.31 g/mol, XLogP of 7.81, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane is sourced from PubChem (CID 11122627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).