S-p-Methoxyphenyl methanethiosulfonate
TL;DR: S-p-Methoxyphenyl methanethiosulfonate (CAS 1444-02-6) is a chemical compound with molecular formula C8H10O3S2 and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-methylsulfonylsulfanylbenzene
Also Known As: S-p-Methoxyphenyl methanethiosulfonate, 1-methoxy-4-methylsulfonylsulfanylbenzene, 1-methoxy-4-methylsulfonylsulfanyl-benzene, 1-(methanesulfonylsulfanyl)-4-methoxybenzene, J1.729.422I
| Molecular Formula | C8H10O3S2 |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 1.7469 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.00714 |
| Heavy Atoms | 13 |
| Complexity | 366.88055 |
Chemical Identifiers
| CAS Number | 1444-02-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SS(=O)(=O)C |
Product Overview
S-p-Methoxyphenyl methanethiosulfonate (CAS 1444-02-6), with molecular formula C8H10O3S2 and molecular weight 218.01 g/mol. IUPAC: 1-methoxy-4-methylsulfonylsulfanylbenzene.
Chemical Property Profile of S-p-Methoxyphenyl methanethiosulfonate
Property Insights of S-p-Methoxyphenyl methanethiosulfonate
The XLogP value of 1.7469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-p-Methoxyphenyl methanethiosulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, S-p-Methoxyphenyl methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-p-Methoxyphenyl methanethiosulfonate has 0 hydrogen bond donor(s) and 4 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-p-Methoxyphenyl methanethiosulfonate?
The CAS number of S-p-Methoxyphenyl methanethiosulfonate is 1444-02-6.
What is the molecular formula of S-p-Methoxyphenyl methanethiosulfonate?
The molecular formula of S-p-Methoxyphenyl methanethiosulfonate is C8H10O3S2.
What is the molecular weight of S-p-Methoxyphenyl methanethiosulfonate?
The molecular weight of S-p-Methoxyphenyl methanethiosulfonate is 218.01 g/mol.
Where can I buy S-p-Methoxyphenyl methanethiosulfonate?
You can request a quote for S-p-Methoxyphenyl methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-p-Methoxyphenyl methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for S-p-Methoxyphenyl methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.