![S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate structure](/static/products/3568/35685-69-9.webp)
S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate
TL;DR: S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate (CAS 35685-69-9) is a chemical compound with molecular formula C9H8Cl2FNO3S2 and molecular weight 330.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,6-dichloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate
Also Known As: S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate, S-(2,6-dichloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamot, 3,5-dichloro-4-(dimethylcarbamoylsulfanyl)benzenesulfonyl fluoride, S-(2,6-dichloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate
| Molecular Formula | C9H8Cl2FNO3S2 |
|---|---|
| Molecular Weight | 330.93 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.93066 |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 35685-69-9 |
|---|---|
| SMILES | CN(C)C(=O)SC1=C(C=C(C=C1Cl)S(=O)(=O)F)Cl |
| InChIKey | JIKHIWPLFQIXIN-UHFFFAOYSA-N |
Product Overview
S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate (CAS 35685-69-9), with molecular formula C9H8Cl2FNO3S2 and molecular weight 330.93 g/mol. IUPAC: S-(2,6-dichloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate
Property Insights of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate
The XLogP value of 3.3 indicates that S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate. Following Lipinski's Rule of Five, S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate has 0 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 S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate?
The CAS number of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate is 35685-69-9.
What is the molecular formula of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate?
The molecular formula of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate is C9H8Cl2FNO3S2.
What is the molecular weight of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate?
The molecular weight of S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate is 330.93 g/mol.
Where can I buy S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate?
You can request a quote for S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2,6-dichloro-4-(fluorosulfonyl)phenyl] dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.