Thiocyanic acid, chloromethyl ester
TL;DR: Thiocyanic acid, chloromethyl ester (CAS 3268-79-9) is a chemical compound with molecular formula C2H2ClNS and molecular weight 106.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl thiocyanate
Also Known As: Chloromethyl thiocyanate, Chloromethylthiocyanate, Chloromethylthiocyanogen, Thiocyanic acid, chloromethyl ester, chloro(thiocyanato)methane
| Molecular Formula | C2H2ClNS |
|---|---|
| Molecular Weight | 106.96 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.95965 |
| Heavy Atoms | 5 |
| Complexity | 53.0 |
Chemical Identifiers
| CAS Number | 3268-79-9 |
|---|---|
| SMILES | C(SC#N)Cl |
| InChIKey | UXUCVNXUWOLPRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyanic acid, chloromethyl ester (CAS 3268-79-9), with molecular formula C2H2ClNS and molecular weight 106.96 g/mol. IUPAC: chloromethyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, chloromethyl ester
Property Insights of Thiocyanic acid, chloromethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, chloromethyl ester. With a topological polar surface area (TPSA) of 49.1 Ų, Thiocyanic acid, chloromethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, chloromethyl ester 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 Thiocyanic acid, chloromethyl ester?
The CAS number of Thiocyanic acid, chloromethyl ester is 3268-79-9.
What is the molecular formula of Thiocyanic acid, chloromethyl ester?
The molecular formula of Thiocyanic acid, chloromethyl ester is C2H2ClNS.
What is the molecular weight of Thiocyanic acid, chloromethyl ester?
The molecular weight of Thiocyanic acid, chloromethyl ester is 106.96 g/mol.
Where can I buy Thiocyanic acid, chloromethyl ester?
You can request a quote for Thiocyanic acid, chloromethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, chloromethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, chloromethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.