dibenzyltin;dihydrobromide

C14H16Br2Sn — CID 87907126

IUPACdibenzyltin;dihydrobromide
SMILESBr.Br.c1ccc(C[Sn]Cc2ccccc2)cc1
InChIInChI=1S/2C7H7.2BrH.Sn/c2*1-7-5-3-2-4-6-7;;;/h2*2-6H,1H2;2*1H;
InChIKeyGUEVPXYYCMJSHC-UHFFFAOYSA-N
MW462.80 g/mol
LogP4.25
Rot. Bonds4

About dibenzyltin;dihydrobromide

dibenzyltin;dihydrobromide (PubChem CID 87907126) has the molecular formula C14H16Br2Sn and a molecular weight of 462.80 g/mol. Its IUPAC name is dibenzyltin;dihydrobromide.

Molecular Properties

Compound Namedibenzyltin;dihydrobromide
PubChem CID87907126
Molecular FormulaC14H16Br2Sn
Molecular Weight462.80 g/mol
Exact Mass461.86
IUPAC Namedibenzyltin;dihydrobromide
SMILESBr.Br.c1ccc(C[Sn]Cc2ccccc2)cc1
InChIInChI=1S/2C7H7.2BrH.Sn/c2*1-7-5-3-2-4-6-7;;;/h2*2-6H,1H2;2*1H;
InChIKeyGUEVPXYYCMJSHC-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.80
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dibenzyltin;dihydrobromide?
The IUPAC name of dibenzyltin;dihydrobromide (CID 87907126) is dibenzyltin;dihydrobromide.
What is the SMILES notation for dibenzyltin;dihydrobromide?
The canonical SMILES for dibenzyltin;dihydrobromide is Br.Br.c1ccc(C[Sn]Cc2ccccc2)cc1.
What is the InChIKey of dibenzyltin;dihydrobromide?
The InChIKey is GUEVPXYYCMJSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.2BrH.Sn/c2*1-7-5-3-2-4-6-7;;;/h2*2-6H,1H2;2*1H;.
What are the key properties of dibenzyltin;dihydrobromide?
dibenzyltin;dihydrobromide has a molecular weight of 462.80 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyltin;dihydrobromide is sourced from PubChem (CID 87907126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).