2-tert-butyl-4H-3,1-benzothiazine-4-thione
TL;DR: 2-tert-butyl-4H-3,1-benzothiazine-4-thione (CAS 57623-30-0) is a chemical compound with molecular formula C12H13NS2 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3,1-benzothiazine-4-thione
Also Known As: 2-tert-butyl-4H-3,1-benzothiazine-4-thione, 2-tert-butyl-3,1-benzothiazine-4-thione, 2-(tert-butyl)benzo[d]1,3-thiazine-4-thione, AO-435/42299865, 2-(tert-Butyl)-4H-benzo[d][1,3]thiazine-4-thione
| Molecular Formula | C12H13NS2 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 4.32329 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.04893 |
| Heavy Atoms | 15 |
| Complexity | 549.2861 |
Chemical Identifiers
| CAS Number | 57623-30-0 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC=CC=C2C(=S)S1 |
Product Overview
2-tert-butyl-4H-3,1-benzothiazine-4-thione (CAS 57623-30-0), with molecular formula C12H13NS2 and molecular weight 235.05 g/mol. IUPAC: 2-tert-butyl-3,1-benzothiazine-4-thione.
Chemical Property Profile of 2-tert-butyl-4H-3,1-benzothiazine-4-thione
Property Insights of 2-tert-butyl-4H-3,1-benzothiazine-4-thione
The XLogP value of 4.32329 indicates that 2-tert-butyl-4H-3,1-benzothiazine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-tert-butyl-4H-3,1-benzothiazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-4H-3,1-benzothiazine-4-thione has 0 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-tert-butyl-4H-3,1-benzothiazine-4-thione?
The CAS number of 2-tert-butyl-4H-3,1-benzothiazine-4-thione is 57623-30-0.
What is the molecular formula of 2-tert-butyl-4H-3,1-benzothiazine-4-thione?
The molecular formula of 2-tert-butyl-4H-3,1-benzothiazine-4-thione is C12H13NS2.
What is the molecular weight of 2-tert-butyl-4H-3,1-benzothiazine-4-thione?
The molecular weight of 2-tert-butyl-4H-3,1-benzothiazine-4-thione is 235.05 g/mol.
Where can I buy 2-tert-butyl-4H-3,1-benzothiazine-4-thione?
You can request a quote for 2-tert-butyl-4H-3,1-benzothiazine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-4H-3,1-benzothiazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-4H-3,1-benzothiazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.