Barium thiocyanate
TL;DR: Barium thiocyanate (CAS 336879-43-7) is a chemical compound with molecular formula C2H2BaN2OS2 and molecular weight 271.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);dithiocyanate;hydrate
Also Known As: Barium thiocyanate, Barium thiocyanate hydrate, C2BaN2S2.H2O, 6787AF
| Molecular Formula | C2H2BaN2OS2 |
|---|---|
| Molecular Weight | 271.87 g/mol |
| LogP | -1.17674 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.8661 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 336879-43-7 |
|---|---|
| SMILES | C(#N)[S-].C(#N)[S-].O.[Ba+2] |
| InChIKey | RPIMIEHGCRZMML-UHFFFAOYSA-L |
Product Overview
Barium thiocyanate (CAS 336879-43-7), with molecular formula C2H2BaN2OS2 and molecular weight 271.87 g/mol. IUPAC: barium(2+);dithiocyanate;hydrate.
Chemical Property Profile of Barium thiocyanate
Property Insights of Barium thiocyanate
The XLogP value of -1.17674 indicates that Barium thiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.6 Ų, Barium thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barium thiocyanate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barium thiocyanate?
The CAS number of Barium thiocyanate is 336879-43-7.
What is the molecular formula of Barium thiocyanate?
The molecular formula of Barium thiocyanate is C2H2BaN2OS2.
What is the molecular weight of Barium thiocyanate?
The molecular weight of Barium thiocyanate is 271.87 g/mol.
Where can I buy Barium thiocyanate?
You can request a quote for Barium thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Barium thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.