tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane

C21H42SSn — CID 11259358

IUPACtributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C1CCCCC1)SC
InChIInChI=1S/C9H15S.3C4H9.Sn/c1-10-8-7-9-5-3-2-4-6-9;3*1-3-4-2;/h7,9H,2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyGJQIQDRHNCXWJS-UHFFFAOYSA-N
MW445.35 g/mol
LogP8.20
Rot. Bonds12

About tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane

tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane (PubChem CID 11259358) has the molecular formula C21H42SSn and a molecular weight of 445.35 g/mol. Its IUPAC name is tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane
PubChem CID11259358
Molecular FormulaC21H42SSn
Molecular Weight445.35 g/mol
Exact Mass446.20
IUPAC Nametributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C1CCCCC1)SC
InChIInChI=1S/C9H15S.3C4H9.Sn/c1-10-8-7-9-5-3-2-4-6-9;3*1-3-4-2;/h7,9H,2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyGJQIQDRHNCXWJS-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane (CID 11259358) is tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/C1CCCCC1)SC.
What is the InChIKey of tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane?
The InChIKey is GJQIQDRHNCXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15S.3C4H9.Sn/c1-10-8-7-9-5-3-2-4-6-9;3*1-3-4-2;/h7,9H,2-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane?
tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane has a molecular weight of 445.35 g/mol, XLogP of 8.20, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane is sourced from PubChem (CID 11259358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).