硫氰酸钡
TL;DR: 硫氰酸钡 (CAS 2145-86-0) is a chemical compound with molecular formula C2BaN2S2 and molecular weight 253.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸钡
barium(2+) dithiocyanate
Also Known As: Barium thiocyanate, thiocyanic acid, Ammonium rhodanate, barium bis(thiocyanate), barium(2+);dithiocyanate
| Molecular Formula | C2BaN2S2 |
|---|---|
| Molecular Weight | 253.86 g/mol |
| LogP | -0.35204 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.85553 |
| Heavy Atoms | 7 |
| Complexity | 31.0 |
Chemical Identifiers
| CAS Number | 2145-86-0 |
|---|---|
| SMILES | C(#N)[S-].C(#N)[S-].[Ba+2] |
| InChIKey | LKZCRGABYQYUFX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫氰酸钡 (CAS 2145-86-0), with molecular formula C2BaN2S2 and molecular weight 253.86 g/mol. IUPAC: barium(2+) dithiocyanate.
Chemical Property Profile of 硫氰酸钡
Property Insights of 硫氰酸钡
The XLogP value of -0.35204 indicates that 硫氰酸钡 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.6 Ų, 硫氰酸钡 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸钡 has 0 hydrogen bond donor(s) and 4 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 硫氰酸钡?
The CAS number of 硫氰酸钡 is 2145-86-0.
What is the molecular formula of 硫氰酸钡?
The molecular formula of 硫氰酸钡 is C2BaN2S2.
What is the molecular weight of 硫氰酸钡?
The molecular weight of 硫氰酸钡 is 253.86 g/mol.
Where can I buy 硫氰酸钡?
You can request a quote for 硫氰酸钡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸钡?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸钡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.