butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane

C32H38SSn2 — CID 16683397

IUPACbutyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane
SMILESCCCC[Sn](S[Sn](CCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/4C6H5.2C4H9.S.2Sn/c4*1-2-4-6-5-3-1;2*1-3-4-2;;;/h4*1-5H;2*1,3-4H2,2H3;;;
InChIKeyZWPUARUQGVBEOL-UHFFFAOYSA-N
MW692.15 g/mol
LogP6.84
Rot. Bonds12

About butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane

butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane (PubChem CID 16683397) has the molecular formula C32H38SSn2 and a molecular weight of 692.15 g/mol. Its IUPAC name is butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane.

Molecular Properties

Compound Namebutyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane
PubChem CID16683397
Molecular FormulaC32H38SSn2
Molecular Weight692.15 g/mol
Exact Mass694.07
IUPAC Namebutyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane
SMILESCCCC[Sn](S[Sn](CCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/4C6H5.2C4H9.S.2Sn/c4*1-2-4-6-5-3-1;2*1-3-4-2;;;/h4*1-5H;2*1,3-4H2,2H3;;;
InChIKeyZWPUARUQGVBEOL-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.15
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane?
The IUPAC name of butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane (CID 16683397) is butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane.
What is the SMILES notation for butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane?
The canonical SMILES for butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane is CCCC[Sn](S[Sn](CCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane?
The InChIKey is ZWPUARUQGVBEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5.2C4H9.S.2Sn/c4*1-2-4-6-5-3-1;2*1-3-4-2;;;/h4*1-5H;2*1,3-4H2,2H3;;;.
What are the key properties of butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane?
butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane has a molecular weight of 692.15 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[butyl(diphenyl)stannyl]sulfanyl-diphenylstannane is sourced from PubChem (CID 16683397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).