2H-3,1-benzothiazine-2,4(1H)-dithione
TL;DR: 2H-3,1-benzothiazine-2,4(1H)-dithione (CAS 16081-97-3) is a chemical compound with molecular formula C8H5NS3 and molecular weight 210.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-3,1-benzothiazine-2,4-dithione
Also Known As: 2H-3,1-benzothiazine-2,4(1H)-dithione, 1H-3,1-benzothiazine-2,4-dithione, 3,1-Benzothiazin-2,4-dithion, 1H-Benzo[d][1,3]thiazine-2,4-dithione, 2H-benzo[d][1,3]thiazine-2,4(1H)-dithione
| Molecular Formula | C8H5NS3 |
|---|---|
| Molecular Weight | 210.96 g/mol |
| LogP | 3.68838 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.95842 |
| Heavy Atoms | 12 |
| Complexity | 523.30426 |
Chemical Identifiers
| CAS Number | 16081-97-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)SC(=S)N2 |
Product Overview
2H-3,1-benzothiazine-2,4(1H)-dithione (CAS 16081-97-3), with molecular formula C8H5NS3 and molecular weight 210.96 g/mol. IUPAC: 1H-3,1-benzothiazine-2,4-dithione.
Chemical Property Profile of 2H-3,1-benzothiazine-2,4(1H)-dithione
Property Insights of 2H-3,1-benzothiazine-2,4(1H)-dithione
The XLogP value of 3.68838 indicates that 2H-3,1-benzothiazine-2,4(1H)-dithione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 2H-3,1-benzothiazine-2,4(1H)-dithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-3,1-benzothiazine-2,4(1H)-dithione 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-3,1-benzothiazine-2,4(1H)-dithione?
The CAS number of 2H-3,1-benzothiazine-2,4(1H)-dithione is 16081-97-3.
What is the molecular formula of 2H-3,1-benzothiazine-2,4(1H)-dithione?
The molecular formula of 2H-3,1-benzothiazine-2,4(1H)-dithione is C8H5NS3.
What is the molecular weight of 2H-3,1-benzothiazine-2,4(1H)-dithione?
The molecular weight of 2H-3,1-benzothiazine-2,4(1H)-dithione is 210.96 g/mol.
Where can I buy 2H-3,1-benzothiazine-2,4(1H)-dithione?
You can request a quote for 2H-3,1-benzothiazine-2,4(1H)-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-3,1-benzothiazine-2,4(1H)-dithione?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-benzothiazine-2,4(1H)-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.