tributyl-(3-methylsulfanylphenyl)stannane

C19H34SSn — CID 90487814

IUPACtributyl-(3-methylsulfanylphenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(SC)c1
InChIInChI=1S/C7H7S.3C4H9.Sn/c1-8-7-5-3-2-4-6-7;3*1-3-4-2;/h2-3,5-6H,1H3;3*1,3-4H2,2H3;
InChIKeyCBROZWQPGSQKIT-UHFFFAOYSA-N
MW413.26 g/mol
LogP6.46
Rot. Bonds11

About tributyl-(3-methylsulfanylphenyl)stannane

tributyl-(3-methylsulfanylphenyl)stannane (PubChem CID 90487814) has the molecular formula C19H34SSn and a molecular weight of 413.26 g/mol. Its IUPAC name is tributyl-(3-methylsulfanylphenyl)stannane.

Molecular Properties

Compound Nametributyl-(3-methylsulfanylphenyl)stannane
PubChem CID90487814
Molecular FormulaC19H34SSn
Molecular Weight413.26 g/mol
Exact Mass414.14
IUPAC Nametributyl-(3-methylsulfanylphenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(SC)c1
InChIInChI=1S/C7H7S.3C4H9.Sn/c1-8-7-5-3-2-4-6-7;3*1-3-4-2;/h2-3,5-6H,1H3;3*1,3-4H2,2H3;
InChIKeyCBROZWQPGSQKIT-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-methylsulfanylphenyl)stannane?
The IUPAC name of tributyl-(3-methylsulfanylphenyl)stannane (CID 90487814) is tributyl-(3-methylsulfanylphenyl)stannane.
What is the SMILES notation for tributyl-(3-methylsulfanylphenyl)stannane?
The canonical SMILES for tributyl-(3-methylsulfanylphenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(SC)c1.
What is the InChIKey of tributyl-(3-methylsulfanylphenyl)stannane?
The InChIKey is CBROZWQPGSQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7S.3C4H9.Sn/c1-8-7-5-3-2-4-6-7;3*1-3-4-2;/h2-3,5-6H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-methylsulfanylphenyl)stannane?
tributyl-(3-methylsulfanylphenyl)stannane has a molecular weight of 413.26 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-methylsulfanylphenyl)stannane is sourced from PubChem (CID 90487814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).