![2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione structure](/static/products/5905/5905-69-1.webp)
2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione
TL;DR: 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione (CAS 5905-69-1) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-4-thione
Also Known As: 2-Methyl-benzo[4,5]furo[3,2-d]pyrimidine-4-thiol, 4-(Difluoromethoxy)bromobenzene, 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione, 2-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-4-thione, BAS 01508084
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.34701 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 711.2482 |
Chemical Identifiers
| CAS Number | 5905-69-1 |
|---|---|
| SMILES | CC1=NC(=S)C2=C(N1)C3=CC=CC=C3O2 |
Product Overview
2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione (CAS 5905-69-1), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 2-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-4-thione.
Chemical Property Profile of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione
Property Insights of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione
The XLogP value of 3.34701 indicates that 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione 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 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione?
The CAS number of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione is 5905-69-1.
What is the molecular formula of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione?
The molecular formula of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione is C11H8N2OS.
What is the molecular weight of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione?
The molecular weight of 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione is 216.04 g/mol.
Where can I buy 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione?
You can request a quote for 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl[1]benzofuro[3,2-d]pyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.