![S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate structure](/static/products/3568/35685-68-8.webp)
S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate
TL;DR: S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate (CAS 35685-68-8) is a chemical compound with molecular formula C9H9FN2O5S2 and molecular weight 307.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-fluorosulfonyl-2-nitrophenyl) N,N-dimethylcarbamothioate
Also Known As: S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate, 4-(dimethylcarbamoylsulfanyl)-3-nitro-benzenesulfonyl fluoride, S-(4-fluorosulfonyl-2-nitrophenyl) N,N-dimethylcarbamothioat, S-(4-fluorosulfonyl-2-nitrophenyl) N,N-dimethylcarbamothioate
| Molecular Formula | C9H9FN2O5S2 |
|---|---|
| Molecular Weight | 307.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.99368 |
| Heavy Atoms | 19 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 35685-68-8 |
|---|---|
| SMILES | CN(C)C(=O)SC1=C(C=C(C=C1)S(=O)(=O)F)[N+](=O)[O-] |
| InChIKey | CXIDFHUPDZUYPR-UHFFFAOYSA-N |
Product Overview
S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate (CAS 35685-68-8), with molecular formula C9H9FN2O5S2 and molecular weight 307.99 g/mol. IUPAC: S-(4-fluorosulfonyl-2-nitrophenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate
Property Insights of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate. Following Lipinski's Rule of Five, S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate has 0 hydrogen bond donor(s) and 7 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 S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate?
The CAS number of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate is 35685-68-8.
What is the molecular formula of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate?
The molecular formula of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate is C9H9FN2O5S2.
What is the molecular weight of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate?
The molecular weight of S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate is 307.99 g/mol.
Where can I buy S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate?
You can request a quote for S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[4-(fluorosulfonyl)-2-nitrophenyl] dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.