4H-3,1-Benzothiazine-2-thiol
TL;DR: 4H-3,1-Benzothiazine-2-thiol (CAS 493-64-1) is a chemical compound with molecular formula C8H7NS2 and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydro-3,1-benzothiazine-2-thione
Also Known As: 4H-3,1-Benzothiazine-2-thiol, 1,4-dihydro-3,1-benzothiazine-2-thione, 4H-Benzo[d][1,3]thiazine-2-thiol, 1,4-dihydro-2H-3,1-benzothiazine-2-thione, 4H-3,1-Benzothiazine-2-thiol #
| Molecular Formula | C8H7NS2 |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 2.6302 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.002 |
| Heavy Atoms | 11 |
| Complexity | 295.89847 |
Chemical Identifiers
| CAS Number | 493-64-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2NC(=S)S1 |
Product Overview
4H-3,1-Benzothiazine-2-thiol (CAS 493-64-1), with molecular formula C8H7NS2 and molecular weight 181.00 g/mol. IUPAC: 1,4-dihydro-3,1-benzothiazine-2-thione.
Chemical Property Profile of 4H-3,1-Benzothiazine-2-thiol
Property Insights of 4H-3,1-Benzothiazine-2-thiol
The XLogP value of 2.6302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzothiazine-2-thiol. With a topological polar surface area (TPSA) of 12.03 Ų, 4H-3,1-Benzothiazine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-3,1-Benzothiazine-2-thiol has 1 hydrogen bond donor(s) and 2 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 4H-3,1-Benzothiazine-2-thiol?
The CAS number of 4H-3,1-Benzothiazine-2-thiol is 493-64-1.
What is the molecular formula of 4H-3,1-Benzothiazine-2-thiol?
The molecular formula of 4H-3,1-Benzothiazine-2-thiol is C8H7NS2.
What is the molecular weight of 4H-3,1-Benzothiazine-2-thiol?
The molecular weight of 4H-3,1-Benzothiazine-2-thiol is 181.00 g/mol.
Where can I buy 4H-3,1-Benzothiazine-2-thiol?
You can request a quote for 4H-3,1-Benzothiazine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzothiazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzothiazine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.