trihexyl(methylsulfinylmethyl)stannane

C20H44OSSn — CID 88848412

IUPACtrihexyl(methylsulfinylmethyl)stannane
SMILESCCCCCC[Sn](CCCCCC)(CCCCCC)CS(C)=O
InChIInChI=1S/3C6H13.C2H5OS.Sn/c3*1-3-5-6-4-2;1-4(2)3;/h3*1,3-6H2,2H3;1H2,2H3;
InChIKeyWVSHGVBLEBEXKN-UHFFFAOYSA-N
MW451.35 g/mol
LogP7.09
Rot. Bonds17

About trihexyl(methylsulfinylmethyl)stannane

trihexyl(methylsulfinylmethyl)stannane (PubChem CID 88848412) has the molecular formula C20H44OSSn and a molecular weight of 451.35 g/mol. Its IUPAC name is trihexyl(methylsulfinylmethyl)stannane.

Molecular Properties

Compound Nametrihexyl(methylsulfinylmethyl)stannane
PubChem CID88848412
Molecular FormulaC20H44OSSn
Molecular Weight451.35 g/mol
Exact Mass452.21
IUPAC Nametrihexyl(methylsulfinylmethyl)stannane
SMILESCCCCCC[Sn](CCCCCC)(CCCCCC)CS(C)=O
InChIInChI=1S/3C6H13.C2H5OS.Sn/c3*1-3-5-6-4-2;1-4(2)3;/h3*1,3-6H2,2H3;1H2,2H3;
InChIKeyWVSHGVBLEBEXKN-UHFFFAOYSA-N
XLogP7.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 57.09
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

diheptyl(dioctyl)stannane
CID 152736724
tributyl(hexadecyl)stannane
CID 174658060
butyl(trioctyl)stannane;hydrochloride
CID 175572560
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
dodecyl(oxo)sulfanium;methylsulfinylmethane
CID 174334118
tetrabutylstannane
CID 160899301
trimethyl(octadecyl)stannane
CID 154056481
lithium;octane;sulfite
CID 122668940
dihexyl(dimethyl)stannane
CID 86221007
methyl(trioctadecyl)stannane
CID 154048335
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of trihexyl(methylsulfinylmethyl)stannane?
The IUPAC name of trihexyl(methylsulfinylmethyl)stannane (CID 88848412) is trihexyl(methylsulfinylmethyl)stannane.
What is the SMILES notation for trihexyl(methylsulfinylmethyl)stannane?
The canonical SMILES for trihexyl(methylsulfinylmethyl)stannane is CCCCCC[Sn](CCCCCC)(CCCCCC)CS(C)=O.
What is the InChIKey of trihexyl(methylsulfinylmethyl)stannane?
The InChIKey is WVSHGVBLEBEXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13.C2H5OS.Sn/c3*1-3-5-6-4-2;1-4(2)3;/h3*1,3-6H2,2H3;1H2,2H3;.
What are the key properties of trihexyl(methylsulfinylmethyl)stannane?
trihexyl(methylsulfinylmethyl)stannane has a molecular weight of 451.35 g/mol, XLogP of 7.09, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(methylsulfinylmethyl)stannane is sourced from PubChem (CID 88848412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).