Chloroethylene bisthiocyanate
TL;DR: Chloroethylene bisthiocyanate (CAS 2883-70-7) is a chemical compound with molecular formula C4H3ClN2S2 and molecular weight 177.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-2-thiocyanatoethyl) thiocyanate
Also Known As: Chloroethylene bisthiocyanate, Cytox 3810, Caswell No. 188D, Chloroethylenebisthiocyanate, Thiocyanic acid, chloroethylene ester
| Molecular Formula | C4H3ClN2S2 |
|---|---|
| Molecular Weight | 177.94 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.94261 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 2883-70-7 |
|---|---|
| SMILES | C(C(SC#N)Cl)SC#N |
| InChIKey | SJCSGFWXVSRSQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloroethylene bisthiocyanate (CAS 2883-70-7), with molecular formula C4H3ClN2S2 and molecular weight 177.94 g/mol. IUPAC: (1-chloro-2-thiocyanatoethyl) thiocyanate.
Chemical Property Profile of Chloroethylene bisthiocyanate
Property Insights of Chloroethylene bisthiocyanate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroethylene bisthiocyanate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloroethylene bisthiocyanate. Following Lipinski's Rule of Five, Chloroethylene bisthiocyanate 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 Chloroethylene bisthiocyanate?
The CAS number of Chloroethylene bisthiocyanate is 2883-70-7.
What is the molecular formula of Chloroethylene bisthiocyanate?
The molecular formula of Chloroethylene bisthiocyanate is C4H3ClN2S2.
What is the molecular weight of Chloroethylene bisthiocyanate?
The molecular weight of Chloroethylene bisthiocyanate is 177.94 g/mol.
Where can I buy Chloroethylene bisthiocyanate?
You can request a quote for Chloroethylene bisthiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroethylene bisthiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Chloroethylene bisthiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.