Thiocarboxime
TL;DR: Thiocarboxime (CAS 25171-63-5) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl N-(methylcarbamoyloxy)ethanimidothioate
Also Known As: Thiocarboxime, Talcord, Thiocarboxime [ISO], Shell 17250, Shell SD 17250
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 25171-63-5 |
|---|---|
| SMILES | CC(=NOC(=O)NC)SCCC#N |
| InChIKey | IWRFWZPCCDGEFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocarboxime (CAS 25171-63-5), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: 2-cyanoethyl N-(methylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Thiocarboxime
Property Insights of Thiocarboxime
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocarboxime. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocarboxime. Following Lipinski's Rule of Five, Thiocarboxime has 1 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 Thiocarboxime?
The CAS number of Thiocarboxime is 25171-63-5.
What is the molecular formula of Thiocarboxime?
The molecular formula of Thiocarboxime is C7H11N3O2S.
What is the molecular weight of Thiocarboxime?
The molecular weight of Thiocarboxime is 201.06 g/mol.
Where can I buy Thiocarboxime?
You can request a quote for Thiocarboxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarboxime?
Yes, KEHONG BIO provides custom synthesis services for Thiocarboxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.