4-Hydroxybenzyl Methanethiosulfonate
TL;DR: 4-Hydroxybenzyl Methanethiosulfonate (CAS 491868-12-3) 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.
4-(methylsulfonylsulfanylmethyl)phenol
Also Known As: 4-Hydroxybenzyl Methanethiosulfonate, 4-(methylsulfonylsulfanylmethyl)phenol, 4-HB-MTS, S-(4-Hydroxybenzyl) methanesulfonothioate, 4-[(METHANESULFONYLSULFANYL)METHYL]PHENOL
| Molecular Formula | C8H10O3S2 |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 1.585 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.00714 |
| Heavy Atoms | 13 |
| Complexity | 366.88055 |
Chemical Identifiers
| CAS Number | 491868-12-3 |
|---|---|
| SMILES | CS(=O)(=O)SCC1=CC=C(C=C1)O |
Product Overview
4-Hydroxybenzyl Methanethiosulfonate (CAS 491868-12-3), with molecular formula C8H10O3S2 and molecular weight 218.01 g/mol. IUPAC: 4-(methylsulfonylsulfanylmethyl)phenol.
Chemical Property Profile of 4-Hydroxybenzyl Methanethiosulfonate
Property Insights of 4-Hydroxybenzyl Methanethiosulfonate
The XLogP value of 1.585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybenzyl Methanethiosulfonate. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Hydroxybenzyl Methanethiosulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxybenzyl Methanethiosulfonate has 1 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 4-Hydroxybenzyl Methanethiosulfonate?
The CAS number of 4-Hydroxybenzyl Methanethiosulfonate is 491868-12-3.
What is the molecular formula of 4-Hydroxybenzyl Methanethiosulfonate?
The molecular formula of 4-Hydroxybenzyl Methanethiosulfonate is C8H10O3S2.
What is the molecular weight of 4-Hydroxybenzyl Methanethiosulfonate?
The molecular weight of 4-Hydroxybenzyl Methanethiosulfonate is 218.01 g/mol.
Where can I buy 4-Hydroxybenzyl Methanethiosulfonate?
You can request a quote for 4-Hydroxybenzyl Methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybenzyl Methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybenzyl Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.