3,4-(Methylenedioxy)thiophenol
TL;DR: 3,4-(Methylenedioxy)thiophenol (CAS 5274-08-8) is a chemical compound with molecular formula C7H6O2S and molecular weight 154.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxole-5-thiol
Also Known As: 3,4-(Methylenedioxy)thiophenol, Benzo[d][1,3]dioxole-5-thiol, 1,3-benzodioxole-5-thiol, 1,3-Dioxaindane-5-thiol, Benzo[1,3]dioxole-5-thiol
| Molecular Formula | C7H6O2S |
|---|---|
| Molecular Weight | 154.01 g/mol |
| LogP | 1.704 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.00885 |
| Heavy Atoms | 10 |
| Complexity | 259.78305 |
Chemical Identifiers
| CAS Number | 5274-08-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)S |
Product Overview
3,4-(Methylenedioxy)thiophenol (CAS 5274-08-8), with molecular formula C7H6O2S and molecular weight 154.01 g/mol. IUPAC: 1,3-benzodioxole-5-thiol.
Chemical Property Profile of 3,4-(Methylenedioxy)thiophenol
Property Insights of 3,4-(Methylenedioxy)thiophenol
The XLogP value of 1.704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-(Methylenedioxy)thiophenol. With a topological polar surface area (TPSA) of 18.46 Ų, 3,4-(Methylenedioxy)thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-(Methylenedioxy)thiophenol has 1 hydrogen bond donor(s) and 3 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 3,4-(Methylenedioxy)thiophenol?
The CAS number of 3,4-(Methylenedioxy)thiophenol is 5274-08-8.
What is the molecular formula of 3,4-(Methylenedioxy)thiophenol?
The molecular formula of 3,4-(Methylenedioxy)thiophenol is C7H6O2S.
What is the molecular weight of 3,4-(Methylenedioxy)thiophenol?
The molecular weight of 3,4-(Methylenedioxy)thiophenol is 154.01 g/mol.
Where can I buy 3,4-(Methylenedioxy)thiophenol?
You can request a quote for 3,4-(Methylenedioxy)thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-(Methylenedioxy)thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-(Methylenedioxy)thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.