Tributyltinisothiocyanate
TL;DR: Tributyltinisothiocyanate (CAS 5035-65-4) is a chemical compound with molecular formula C13H27NSSn and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributyl(isothiocyanato)stannane
Also Known As: Tbsn-itc, Tributyltinisothiocyanate, tributyl(isothiocyanato)stannane, TBT-ITC, Stannane, tributylisothiocyanato-
| Molecular Formula | C13H27NSSn |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 5.435 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 349.08862 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 5035-65-4 |
|---|---|
| SMILES | CCCC[Sn](CCCC)(CCCC)N=C=S |
| InChIKey | FPRFAKRHSINQSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tributyltinisothiocyanate (CAS 5035-65-4), with molecular formula C13H27NSSn and molecular weight 349.09 g/mol. IUPAC: tributyl(isothiocyanato)stannane.
Chemical Property Profile of Tributyltinisothiocyanate
Property Insights of Tributyltinisothiocyanate
The XLogP value of 5.435 indicates that Tributyltinisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Tributyltinisothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tributyltinisothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tributyltinisothiocyanate?
The CAS number of Tributyltinisothiocyanate is 5035-65-4.
What is the molecular formula of Tributyltinisothiocyanate?
The molecular formula of Tributyltinisothiocyanate is C13H27NSSn.
What is the molecular weight of Tributyltinisothiocyanate?
The molecular weight of Tributyltinisothiocyanate is 349.09 g/mol.
Where can I buy Tributyltinisothiocyanate?
You can request a quote for Tributyltinisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tributyltinisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Tributyltinisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.