1,3-Benzoxathiol-2-one
TL;DR: 1,3-Benzoxathiol-2-one (CAS 7735-53-7) is a chemical compound with molecular formula C7H4O2S and molecular weight 151.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzoxathiol-2-one
Also Known As: 1,3-Benzoxathiol-2-one, 1,3-Benzoxathiole-2-one, 2H-1,3-benzoxathiol-2-one, benzo[d][1,3]oxathiol-2-one, J1.077.943J
| Molecular Formula | C7H4O2S |
|---|---|
| Molecular Weight | 151.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.9932 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 7735-53-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC(=O)S2 |
| InChIKey | HDNWKCSXXBAGHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzoxathiol-2-one (CAS 7735-53-7), with molecular formula C7H4O2S and molecular weight 151.99 g/mol. IUPAC: 1,3-benzoxathiol-2-one.
Chemical Property Profile of 1,3-Benzoxathiol-2-one
Property Insights of 1,3-Benzoxathiol-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzoxathiol-2-one. With a topological polar surface area (TPSA) of 51.6 Ų, 1,3-Benzoxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzoxathiol-2-one has 0 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 1,3-Benzoxathiol-2-one?
The CAS number of 1,3-Benzoxathiol-2-one is 7735-53-7.
What is the molecular formula of 1,3-Benzoxathiol-2-one?
The molecular formula of 1,3-Benzoxathiol-2-one is C7H4O2S.
What is the molecular weight of 1,3-Benzoxathiol-2-one?
The molecular weight of 1,3-Benzoxathiol-2-one is 151.99 g/mol.
Where can I buy 1,3-Benzoxathiol-2-one?
You can request a quote for 1,3-Benzoxathiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.