C5H7F3N2O2S
TL;DR: C5H7F3N2O2S (CAS 82985-96-4) is a chemical compound with molecular formula C5H7F3N2O2S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate
Also Known As: Pancreatic spasmolytic polypeptide, Ethanimidothioic acid, 2,2,2-trifluoro-N-[[(methylamino)carbonyl]oxy]-, methyl ester, (E)-, Ethanimidothioic acid, 2,2,2-trifluoro-N-(((methylamino)carbonyl)oxy)-,methyl ester, (E)-, S-methyl (Z)-2,2,2-trifluoro-N-(methylcarbamoyloxy)thioacetimidate, Ethanimidothioic acid, 2,2,2-trifluoro-N-(((methylamino)carbonyl)oxy)-, methyl ester, (E)-
| Molecular Formula | C5H7F3N2O2S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 1.5812 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.01804 |
| Heavy Atoms | 13 |
| Complexity | 216.31526 |
Chemical Identifiers
| CAS Number | 82985-96-4 |
|---|---|
| SMILES | CNC(=O)O/N=C(\C(F)(F)F)/SC |
Product Overview
C5H7F3N2O2S (CAS 82985-96-4), with molecular formula C5H7F3N2O2S and molecular weight 216.02 g/mol. IUPAC: methyl (1E)-2,2,2-trifluoro-N-(methylcarbamoyloxy)ethanimidothioate.
Chemical Property Profile of C5H7F3N2O2S
Property Insights of C5H7F3N2O2S
The XLogP value of 1.5812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C5H7F3N2O2S. With a topological polar surface area (TPSA) of 50.69 Ų, C5H7F3N2O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C5H7F3N2O2S has 1 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 C5H7F3N2O2S?
The CAS number of C5H7F3N2O2S is 82985-96-4.
What is the molecular formula of C5H7F3N2O2S?
The molecular formula of C5H7F3N2O2S is C5H7F3N2O2S.
What is the molecular weight of C5H7F3N2O2S?
The molecular weight of C5H7F3N2O2S is 216.02 g/mol.
Where can I buy C5H7F3N2O2S?
You can request a quote for C5H7F3N2O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C5H7F3N2O2S?
Yes, KEHONG BIO provides custom synthesis services for C5H7F3N2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.