3,4-Dihydro-2H-1,3-benzothiazine-2-thione
TL;DR: 3,4-Dihydro-2H-1,3-benzothiazine-2-thione (CAS 92808-77-0) 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.
3,4-dihydro-1,3-benzothiazine-2-thione
Also Known As: 3,4-Dihydro-2H-1,3-benzothiazine-2-thione, 3,4-dihydro-1,3-benzothiazine-2-thione, 3,4-Dihydro-2H-benzo[e][1,3]thiazine-2-thione, 7-thia-9-azabicyclo[4.4.0]deca-1,3,5-triene-8-thione
| Molecular Formula | C8H7NS2 |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 2.1668 |
| 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 | 92808-77-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2SC(=S)N1 |
Product Overview
3,4-Dihydro-2H-1,3-benzothiazine-2-thione (CAS 92808-77-0), with molecular formula C8H7NS2 and molecular weight 181.00 g/mol. IUPAC: 3,4-dihydro-1,3-benzothiazine-2-thione.
Chemical Property Profile of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione
Property Insights of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione
The XLogP value of 2.1668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2H-1,3-benzothiazine-2-thione. With a topological polar surface area (TPSA) of 12.03 Ų, 3,4-Dihydro-2H-1,3-benzothiazine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2H-1,3-benzothiazine-2-thione 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 3,4-Dihydro-2H-1,3-benzothiazine-2-thione?
The CAS number of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione is 92808-77-0.
What is the molecular formula of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione?
The molecular formula of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione is C8H7NS2.
What is the molecular weight of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione?
The molecular weight of 3,4-Dihydro-2H-1,3-benzothiazine-2-thione is 181.00 g/mol.
Where can I buy 3,4-Dihydro-2H-1,3-benzothiazine-2-thione?
You can request a quote for 3,4-Dihydro-2H-1,3-benzothiazine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2H-1,3-benzothiazine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2H-1,3-benzothiazine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.