3-methyl-3H-2-benzofuran-1-thione
TL;DR: 3-methyl-3H-2-benzofuran-1-thione (CAS 167965-58-4) is a chemical compound with molecular formula C9H8OS and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3H-2-benzofuran-1-thione
Also Known As: 3-Methyl-1(3H)-isobenzofuranthione, 3-methyl-3H-isobenzofuran-1-thione, 3-Methylisobenzofuran-1(3H)-thione, 3-methyl-1,3-dihydro-2-benzofuran-1-thione
| Molecular Formula | C9H8OS |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 2.4533 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02959 |
| Heavy Atoms | 11 |
| Complexity | 306.18597 |
Chemical Identifiers
| CAS Number | 167965-58-4 |
|---|---|
| SMILES | CC1C2=CC=CC=C2C(=S)O1 |
Product Overview
3-methyl-3H-2-benzofuran-1-thione (CAS 167965-58-4), with molecular formula C9H8OS and molecular weight 164.03 g/mol. IUPAC: 3-methyl-3H-2-benzofuran-1-thione.
Chemical Property Profile of 3-methyl-3H-2-benzofuran-1-thione
Property Insights of 3-methyl-3H-2-benzofuran-1-thione
The XLogP value of 2.4533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-3H-2-benzofuran-1-thione. With a topological polar surface area (TPSA) of 9.23 Ų, 3-methyl-3H-2-benzofuran-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-3H-2-benzofuran-1-thione has 0 hydrogen bond donor(s) and 2 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-methyl-3H-2-benzofuran-1-thione?
The CAS number of 3-methyl-3H-2-benzofuran-1-thione is 167965-58-4.
What is the molecular formula of 3-methyl-3H-2-benzofuran-1-thione?
The molecular formula of 3-methyl-3H-2-benzofuran-1-thione is C9H8OS.
What is the molecular weight of 3-methyl-3H-2-benzofuran-1-thione?
The molecular weight of 3-methyl-3H-2-benzofuran-1-thione is 164.03 g/mol.
Where can I buy 3-methyl-3H-2-benzofuran-1-thione?
You can request a quote for 3-methyl-3H-2-benzofuran-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-3H-2-benzofuran-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-3H-2-benzofuran-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.