dibutyl-pentyl-phenylsulfanylstannane

C19H34SSn — CID 154067745

IUPACdibutyl-pentyl-phenylsulfanylstannane
SMILESCCCCC[Sn](CCCC)(CCCC)Sc1ccccc1
InChIInChI=1S/C6H6S.C5H11.2C4H9.Sn/c7-6-4-2-1-3-5-6;1-3-5-4-2;2*1-3-4-2;/h1-5,7H;1,3-5H2,2H3;2*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyREBIMIOZHUHBHU-UHFFFAOYSA-M
MW413.26 g/mol
LogP7.51
Rot. Bonds12

About dibutyl-pentyl-phenylsulfanylstannane

dibutyl-pentyl-phenylsulfanylstannane (PubChem CID 154067745) has the molecular formula C19H34SSn and a molecular weight of 413.26 g/mol. Its IUPAC name is dibutyl-pentyl-phenylsulfanylstannane.

Molecular Properties

Compound Namedibutyl-pentyl-phenylsulfanylstannane
PubChem CID154067745
Molecular FormulaC19H34SSn
Molecular Weight413.26 g/mol
Exact Mass414.14
IUPAC Namedibutyl-pentyl-phenylsulfanylstannane
SMILESCCCCC[Sn](CCCC)(CCCC)Sc1ccccc1
InChIInChI=1S/C6H6S.C5H11.2C4H9.Sn/c7-6-4-2-1-3-5-6;1-3-5-4-2;2*1-3-4-2;/h1-5,7H;1,3-5H2,2H3;2*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyREBIMIOZHUHBHU-UHFFFAOYSA-M
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 57.51
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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Frequently Asked Questions

What is the IUPAC name of dibutyl-pentyl-phenylsulfanylstannane?
The IUPAC name of dibutyl-pentyl-phenylsulfanylstannane (CID 154067745) is dibutyl-pentyl-phenylsulfanylstannane.
What is the SMILES notation for dibutyl-pentyl-phenylsulfanylstannane?
The canonical SMILES for dibutyl-pentyl-phenylsulfanylstannane is CCCCC[Sn](CCCC)(CCCC)Sc1ccccc1.
What is the InChIKey of dibutyl-pentyl-phenylsulfanylstannane?
The InChIKey is REBIMIOZHUHBHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6S.C5H11.2C4H9.Sn/c7-6-4-2-1-3-5-6;1-3-5-4-2;2*1-3-4-2;/h1-5,7H;1,3-5H2,2H3;2*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of dibutyl-pentyl-phenylsulfanylstannane?
dibutyl-pentyl-phenylsulfanylstannane has a molecular weight of 413.26 g/mol, XLogP of 7.51, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-pentyl-phenylsulfanylstannane is sourced from PubChem (CID 154067745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).