C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate
TL;DR: C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate (CAS 4617-17-8) is a chemical compound with molecular formula C6H8N2OS2 and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-thiocyanatoethoxy)ethyl thiocyanate
Also Known As: Lethane A70, Lethane a-70, Caswell No. 409, Bis(2-thiocyanatoethyl) ether, Lethane-A-70
| Molecular Formula | C6H8N2OS2 |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.00781 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 4617-17-8 |
|---|---|
| SMILES | C(CSC#N)OCCSC#N |
| InChIKey | LWQHJELPBKVFOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate (CAS 4617-17-8), with molecular formula C6H8N2OS2 and molecular weight 188.01 g/mol. IUPAC: 2-(2-thiocyanatoethoxy)ethyl thiocyanate.
Chemical Property Profile of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate
Property Insights of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate. Following Lipinski's Rule of Five, C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate has 0 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 C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate?
The CAS number of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate is 4617-17-8.
What is the molecular formula of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate?
The molecular formula of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate is C6H8N2OS2.
What is the molecular weight of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate?
The molecular weight of C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate is 188.01 g/mol.
Where can I buy C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate?
You can request a quote for C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate?
Yes, KEHONG BIO provides custom synthesis services for C,C'-(Oxydi-2,1-ethanediyl) dithiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.