Isatoic acid,anhydrosulfide
TL;DR: Isatoic acid,anhydrosulfide (CAS 703-65-1) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-3,1-benzothiazine-2,4-dione
Also Known As: ISATOIC ACID,ANHYDROSULFIDE, 1H-3,1-benzothiazine-2,4-dione, 2H-3,1-benzothiazine-2,4(1H)-dione, InChI=1/C8H5NO2S/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11
| Molecular Formula | C8H5NO2S |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0041 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 703-65-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)SC(=O)N2 |
| InChIKey | IZMNVUNODJVPCE-UHFFFAOYSA-N |
Product Overview
Isatoic acid,anhydrosulfide (CAS 703-65-1), with molecular formula C8H5NO2S and molecular weight 179.00 g/mol. IUPAC: 1H-3,1-benzothiazine-2,4-dione.
Chemical Property Profile of Isatoic acid,anhydrosulfide
Property Insights of Isatoic acid,anhydrosulfide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isatoic acid,anhydrosulfide. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Isatoic acid,anhydrosulfide. Following Lipinski's Rule of Five, Isatoic acid,anhydrosulfide 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 Isatoic acid,anhydrosulfide?
The CAS number of Isatoic acid,anhydrosulfide is 703-65-1.
What is the molecular formula of Isatoic acid,anhydrosulfide?
The molecular formula of Isatoic acid,anhydrosulfide is C8H5NO2S.
What is the molecular weight of Isatoic acid,anhydrosulfide?
The molecular weight of Isatoic acid,anhydrosulfide is 179.00 g/mol.
Where can I buy Isatoic acid,anhydrosulfide?
You can request a quote for Isatoic acid,anhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isatoic acid,anhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for Isatoic acid,anhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.