2H-1,3-Benzothiazine-2,4(3H)-dione
TL;DR: 2H-1,3-Benzothiazine-2,4(3H)-dione (CAS 10512-65-9) 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.
1,3-benzothiazine-2,4-dione
Also Known As: 1,3-benzothiazine-2,4-dione, 2H-1,3-Benzothiazine-2,4(3H)-dione, 3,4-dihydro-2H-1,3-benzothiazine-2,4-dione, 2H-Benzo[e][1,3]thiazine-2,4(3H)-dione, 4-hydroxy-2H-1,3-benzothiazin-2-one
| Molecular Formula | C8H5NO2S |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 0.9498 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0041 |
| Heavy Atoms | 12 |
| Complexity | 526.05914 |
Chemical Identifiers
| CAS Number | 10512-65-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=O)S2 |
Product Overview
2H-1,3-Benzothiazine-2,4(3H)-dione (CAS 10512-65-9), with molecular formula C8H5NO2S and molecular weight 179.00 g/mol. IUPAC: 1,3-benzothiazine-2,4-dione.
Chemical Property Profile of 2H-1,3-Benzothiazine-2,4(3H)-dione
Property Insights of 2H-1,3-Benzothiazine-2,4(3H)-dione
The XLogP value of 0.9498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Benzothiazine-2,4(3H)-dione. With a topological polar surface area (TPSA) of 49.93 Ų, 2H-1,3-Benzothiazine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Benzothiazine-2,4(3H)-dione 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 2H-1,3-Benzothiazine-2,4(3H)-dione?
The CAS number of 2H-1,3-Benzothiazine-2,4(3H)-dione is 10512-65-9.
What is the molecular formula of 2H-1,3-Benzothiazine-2,4(3H)-dione?
The molecular formula of 2H-1,3-Benzothiazine-2,4(3H)-dione is C8H5NO2S.
What is the molecular weight of 2H-1,3-Benzothiazine-2,4(3H)-dione?
The molecular weight of 2H-1,3-Benzothiazine-2,4(3H)-dione is 179.00 g/mol.
Where can I buy 2H-1,3-Benzothiazine-2,4(3H)-dione?
You can request a quote for 2H-1,3-Benzothiazine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Benzothiazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Benzothiazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.