S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate
TL;DR: S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate (CAS 90508-76-2) is a chemical compound with molecular formula C7H4Cl3NO4S2 and molecular weight 334.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(trichloromethylsulfanylsulfonyl)benzene
Also Known As: m-Nitrobenzolsulfonylbromid, NCIOpen2_009288, S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate, 1-nitro-3-(trichloromethylsulfanylsulfonyl)benzene, S-Trichloromethyl 3-nitrobenzene-1-sulfonothioate
| Molecular Formula | C7H4Cl3NO4S2 |
|---|---|
| Molecular Weight | 334.86 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.86475 |
| Heavy Atoms | 17 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 90508-76-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)SC(Cl)(Cl)Cl)[N+](=O)[O-] |
| InChIKey | PEDSOEPRNXFMAE-UHFFFAOYSA-N |
Product Overview
S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate (CAS 90508-76-2), with molecular formula C7H4Cl3NO4S2 and molecular weight 334.86 g/mol. IUPAC: 1-nitro-3-(trichloromethylsulfanylsulfonyl)benzene.
Chemical Property Profile of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate
Property Insights of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate. Following Lipinski's Rule of Five, S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate 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-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate?
The CAS number of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate is 90508-76-2.
What is the molecular formula of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate?
The molecular formula of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate is C7H4Cl3NO4S2.
What is the molecular weight of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate?
The molecular weight of S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate is 334.86 g/mol.
Where can I buy S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate?
You can request a quote for S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.