(4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate
TL;DR: (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate (CAS 152382-48-4) is a chemical compound with molecular formula C9H8FN3S and molecular weight 209.0423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate
Also Known As: 1-Cyano-2-(4-fluorophenyl)-3-methylisothiourea, (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate, N-Cyano-S-(4-fluorophenyl)-N'-methylisothiourea, 4-Fluorophenyl N-cyano-N'-methylcarbamimidothioate, 4-Fluorophenyl N-cyano-N/'-methylcarbamimidothioate
Technical Specifications
| Molecular Formula | C9H8FN3S |
| Molecular Weight | 209.0423 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0423 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | CN=C(NC#N)SC1=CC=C(C=C1)F |
| InChIKey | JMRXSXCJSBGGSU-UHFFFAOYSA-N |
Chemical Property Profile of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate
Property Insights of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate. Following Lipinski's Rule of Five, (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate 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
What is the CAS number of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate?
The CAS number of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate is 152382-48-4.
What is the molecular formula of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate?
The molecular formula of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate is C9H8FN3S.
What is the molecular weight of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate?
The molecular weight of (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate is 209.0423 g/mol.
Where can I buy (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate?
You can request a quote for (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate?
Yes, CoreyChem provides custom synthesis services for (4-fluorophenyl) N-cyano-N'-methylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.