Thiocyanic acid, calcium salt (2:1)
TL;DR: Thiocyanic acid, calcium salt (2:1) (CAS 21458-36-6) is a chemical compound with molecular formula C2CaN2S2 and molecular weight 155.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium dithiocyanate
Also Known As: Calcium thiocyanate, Calcium dithiocyanate, Thiocyan, Calcium rhodanate, Calciumrhodanid
| Molecular Formula | C2CaN2S2 |
|---|---|
| Molecular Weight | 155.91 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 | 155.91289 |
| Heavy Atoms | 7 |
| Complexity | 31.0 |
Chemical Identifiers
| CAS Number | 21458-36-6 |
|---|---|
| SMILES | C(#N)[S-].C(#N)[S-].[Ca+2] |
| InChIKey | RLDQYSHDFVSAPL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyanic acid, calcium salt (2:1) (CAS 21458-36-6), with molecular formula C2CaN2S2 and molecular weight 155.91 g/mol. IUPAC: calcium dithiocyanate.
Chemical Property Profile of Thiocyanic acid, calcium salt (2:1)
Property Insights of Thiocyanic acid, calcium salt (2:1)
The XLogP value of -0.35204 indicates that Thiocyanic acid, calcium salt (2:1) 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, Thiocyanic acid, calcium salt (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, calcium salt (2:1) 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 Thiocyanic acid, calcium salt (2:1)?
The CAS number of Thiocyanic acid, calcium salt (2:1) is 21458-36-6.
What is the molecular formula of Thiocyanic acid, calcium salt (2:1)?
The molecular formula of Thiocyanic acid, calcium salt (2:1) is C2CaN2S2.
What is the molecular weight of Thiocyanic acid, calcium salt (2:1)?
The molecular weight of Thiocyanic acid, calcium salt (2:1) is 155.91 g/mol.
Where can I buy Thiocyanic acid, calcium salt (2:1)?
You can request a quote for Thiocyanic acid, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.