2-Chloroethyl thiocyanate
TL;DR: 2-Chloroethyl thiocyanate (CAS 928-57-4) is a chemical compound with molecular formula C3H4ClNS and molecular weight 120.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl thiocyanate
Also Known As: 2-Chloroethyl thiocyanate, ss-Chlorathylrhodanid, Thiocyanic acid, 2-chloroethyl ester, [(2-chloroethyl)sulfanyl]carbonitrile, 1-chloro-2-thiocyanato-ethane
| Molecular Formula | C3H4ClNS |
|---|---|
| Molecular Weight | 120.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.975296 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 928-57-4 |
|---|---|
| SMILES | C(CCl)SC#N |
| InChIKey | DYLSBDPBASJBDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl thiocyanate (CAS 928-57-4), with molecular formula C3H4ClNS and molecular weight 120.98 g/mol. IUPAC: 2-chloroethyl thiocyanate.
Chemical Property Profile of 2-Chloroethyl thiocyanate
Property Insights of 2-Chloroethyl thiocyanate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, 2-Chloroethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 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 2-Chloroethyl thiocyanate?
The CAS number of 2-Chloroethyl thiocyanate is 928-57-4.
What is the molecular formula of 2-Chloroethyl thiocyanate?
The molecular formula of 2-Chloroethyl thiocyanate is C3H4ClNS.
What is the molecular weight of 2-Chloroethyl thiocyanate?
The molecular weight of 2-Chloroethyl thiocyanate is 120.98 g/mol.
Where can I buy 2-Chloroethyl thiocyanate?
You can request a quote for 2-Chloroethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.