2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one
TL;DR: 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one (CAS 56022-26-5) is a chemical compound with molecular formula C8H5NOS2 and molecular weight 194.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1,3-benzothiazin-4-one
Also Known As: 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one, 2-sulfanylidene-1,3-benzothiazin-4-one, 2-Thioxo-2H-benzo[e][1,3]thiazin-4(3H)-one, 2-sulfanyl-4H-1,3-benzothiazin-4-one, 2-thioxo-1,3-benzothiazin-4-one
| Molecular Formula | C8H5NOS2 |
|---|---|
| Molecular Weight | 194.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.98126 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 56022-26-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=S)S2 |
| InChIKey | OLKPPPPATKQSBL-UHFFFAOYSA-N |
Product Overview
2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one (CAS 56022-26-5), with molecular formula C8H5NOS2 and molecular weight 194.98 g/mol. IUPAC: 2-sulfanylidene-1,3-benzothiazin-4-one.
Chemical Property Profile of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one
Property Insights of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one. Following Lipinski's Rule of Five, 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one 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 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one?
The CAS number of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one is 56022-26-5.
What is the molecular formula of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one?
The molecular formula of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one is C8H5NOS2.
What is the molecular weight of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one?
The molecular weight of 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one is 194.98 g/mol.
Where can I buy 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one?
You can request a quote for 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.