4-imino-4H-3,1-benzothiazine-2-thiol
TL;DR: 4-imino-4H-3,1-benzothiazine-2-thiol (CAS 793716-07-1) is a chemical compound with molecular formula C8H6N2S2 and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,1-benzothiazine-2-thione
Also Known As: 4-imino-4H-3,1-benzothiazine-2-thiol, 4-amino-3,1-benzothiazine-2-thione, 1,4-Dihydro-4-imino-2H-3,1-benzothiazine-2-thione, 4-Imino-4H-benzo[d][1,3]thiazine-2-thiol, 4-amino-2H-3,1-benzothiazine-2-thione
| Molecular Formula | C8H6N2S2 |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 2.60799 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.99724 |
| Heavy Atoms | 12 |
| Complexity | 475.6867 |
Chemical Identifiers
| CAS Number | 793716-07-1 |
|---|---|
| SMILES | C1=CC2=C(SC(=S)N=C2C=C1)N |
Product Overview
4-imino-4H-3,1-benzothiazine-2-thiol (CAS 793716-07-1), with molecular formula C8H6N2S2 and molecular weight 194.00 g/mol. IUPAC: 4-amino-3,1-benzothiazine-2-thione.
Chemical Property Profile of 4-imino-4H-3,1-benzothiazine-2-thiol
Property Insights of 4-imino-4H-3,1-benzothiazine-2-thiol
The XLogP value of 2.60799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-imino-4H-3,1-benzothiazine-2-thiol. With a topological polar surface area (TPSA) of 38.91 Ų, 4-imino-4H-3,1-benzothiazine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-imino-4H-3,1-benzothiazine-2-thiol has 1 hydrogen bond donor(s) and 4 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 4-imino-4H-3,1-benzothiazine-2-thiol?
The CAS number of 4-imino-4H-3,1-benzothiazine-2-thiol is 793716-07-1.
What is the molecular formula of 4-imino-4H-3,1-benzothiazine-2-thiol?
The molecular formula of 4-imino-4H-3,1-benzothiazine-2-thiol is C8H6N2S2.
What is the molecular weight of 4-imino-4H-3,1-benzothiazine-2-thiol?
The molecular weight of 4-imino-4H-3,1-benzothiazine-2-thiol is 194.00 g/mol.
Where can I buy 4-imino-4H-3,1-benzothiazine-2-thiol?
You can request a quote for 4-imino-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 4-imino-4H-3,1-benzothiazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-4H-3,1-benzothiazine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.