Thiocarboxime, (E)-
TL;DR: Thiocarboxime, (E)- (CAS 29118-87-4) 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 (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Also Known As: Thiocarboxime, Talcord, cis-Thiocarboxime, (E)-thiocarboxime, Thiocarboxime [ISO]
| Molecular Formula | C7H11N3O2S |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.32268 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.0572 |
| Heavy Atoms | 13 |
| Complexity | 234.38239 |
Chemical Identifiers
| CAS Number | 29118-87-4 |
|---|---|
| SMILES | C/C(=N\OC(=O)NC)/SCCC#N |
Product Overview
Thiocarboxime, (E)- (CAS 29118-87-4), with molecular formula C7H11N3O2S and molecular weight 201.06 g/mol. IUPAC: 2-cyanoethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of Thiocarboxime, (E)-
Property Insights of Thiocarboxime, (E)-
The XLogP value of 1.32268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocarboxime, (E)-. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocarboxime, (E)-. Following Lipinski's Rule of Five, Thiocarboxime, (E)- 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, (E)-?
The CAS number of Thiocarboxime, (E)- is 29118-87-4.
What is the molecular formula of Thiocarboxime, (E)-?
The molecular formula of Thiocarboxime, (E)- is C7H11N3O2S.
What is the molecular weight of Thiocarboxime, (E)-?
The molecular weight of Thiocarboxime, (E)- is 201.06 g/mol.
Where can I buy Thiocarboxime, (E)-?
You can request a quote for Thiocarboxime, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarboxime, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Thiocarboxime, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.