1(3H)-Isobenzofuranthione
TL;DR: 1(3H)-Isobenzofuranthione (CAS 4741-68-8) is a chemical compound with molecular formula C8H6OS and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-2-benzofuran-1-thione
Also Known As: thiophthalide, 1-Thiophthalide, 1(3H)-Isobenzofuranthione, 3H-2-benzofuran-1-thione, Isobenzofuran-1(3H)-thione
| Molecular Formula | C8H6OS |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.01393 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 4741-68-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=S)O1 |
| InChIKey | WQBXDMCOVLBREU-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranthione (CAS 4741-68-8), with molecular formula C8H6OS and molecular weight 150.01 g/mol. IUPAC: 3H-2-benzofuran-1-thione.
Chemical Property Profile of 1(3H)-Isobenzofuranthione
Property Insights of 1(3H)-Isobenzofuranthione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranthione. With a topological polar surface area (TPSA) of 41.3 Ų, 1(3H)-Isobenzofuranthione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranthione 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 1(3H)-Isobenzofuranthione?
The CAS number of 1(3H)-Isobenzofuranthione is 4741-68-8.
What is the molecular formula of 1(3H)-Isobenzofuranthione?
The molecular formula of 1(3H)-Isobenzofuranthione is C8H6OS.
What is the molecular weight of 1(3H)-Isobenzofuranthione?
The molecular weight of 1(3H)-Isobenzofuranthione is 150.01 g/mol.
Where can I buy 1(3H)-Isobenzofuranthione?
You can request a quote for 1(3H)-Isobenzofuranthione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranthione?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranthione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.