Chlorine thiocyanate
TL;DR: Chlorine thiocyanate (CAS 5961-98-8) is a chemical compound with molecular formula CClNS and molecular weight 92.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro thiocyanate
Also Known As: Chlorine thiocyanate, chloro thiocyanate, Cyanochlorosulfur, chloro-cyano-sulfane, Thiocyanogen chloride
| Molecular Formula | CClNS |
|---|---|
| Molecular Weight | 92.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 92.944 |
| Heavy Atoms | 4 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 5961-98-8 |
|---|---|
| SMILES | C(#N)SCl |
| InChIKey | WRIINKYBVSMNJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorine thiocyanate (CAS 5961-98-8), with molecular formula CClNS and molecular weight 92.94 g/mol. IUPAC: chloro thiocyanate.
Chemical Property Profile of Chlorine thiocyanate
Property Insights of Chlorine thiocyanate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorine thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, Chlorine thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorine thiocyanate has 0 hydrogen bond donor(s) and 2 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 Chlorine thiocyanate?
The CAS number of Chlorine thiocyanate is 5961-98-8.
What is the molecular formula of Chlorine thiocyanate?
The molecular formula of Chlorine thiocyanate is CClNS.
What is the molecular weight of Chlorine thiocyanate?
The molecular weight of Chlorine thiocyanate is 92.94 g/mol.
Where can I buy Chlorine thiocyanate?
You can request a quote for Chlorine thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorine thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Chlorine thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.