S-(3-Nitrophenyl)methanethiosulfonate
TL;DR: S-(3-Nitrophenyl)methanethiosulfonate (CAS 609336-18-7) is a chemical compound with molecular formula C7H7NO4S2 and molecular weight 232.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylsulfanyl-3-nitrobenzene
Also Known As: S-(3-Nitrophenyl)methanethiosulfonate, 1-methylsulfonylsulfanyl-3-nitrobenzene, 1-methylsulfonylsulfanyl-3-nitro-benzene
| Molecular Formula | C7H7NO4S2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | 1.6465 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.98164 |
| Heavy Atoms | 14 |
| Complexity | 454.51254 |
Chemical Identifiers
| CAS Number | 609336-18-7 |
|---|---|
| SMILES | CS(=O)(=O)SC1=CC=CC(=C1)[N+](=O)[O-] |
Product Overview
S-(3-Nitrophenyl)methanethiosulfonate (CAS 609336-18-7), with molecular formula C7H7NO4S2 and molecular weight 232.98 g/mol. IUPAC: 1-methylsulfonylsulfanyl-3-nitrobenzene.
Chemical Property Profile of S-(3-Nitrophenyl)methanethiosulfonate
Property Insights of S-(3-Nitrophenyl)methanethiosulfonate
The XLogP value of 1.6465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3-Nitrophenyl)methanethiosulfonate. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-Nitrophenyl)methanethiosulfonate. Following Lipinski's Rule of Five, S-(3-Nitrophenyl)methanethiosulfonate 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-(3-Nitrophenyl)methanethiosulfonate?
The CAS number of S-(3-Nitrophenyl)methanethiosulfonate is 609336-18-7.
What is the molecular formula of S-(3-Nitrophenyl)methanethiosulfonate?
The molecular formula of S-(3-Nitrophenyl)methanethiosulfonate is C7H7NO4S2.
What is the molecular weight of S-(3-Nitrophenyl)methanethiosulfonate?
The molecular weight of S-(3-Nitrophenyl)methanethiosulfonate is 232.98 g/mol.
Where can I buy S-(3-Nitrophenyl)methanethiosulfonate?
You can request a quote for S-(3-Nitrophenyl)methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-Nitrophenyl)methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Nitrophenyl)methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.