![3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione structure](/static/products/4778/477868-96-5.webp)
3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione
TL;DR: 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione (CAS 477868-96-5) is a chemical compound with molecular formula C19H21NO2S2 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-4H-1λ6,4-benzothiazine 1,1-dioxide
Also Known As: Bionet1_003860, 1P-367S, 3-[(4-tert-butylphenyl)methylsulfanyl]-4H-1, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione, 3-[(4-tert-butylphenyl)methylsulfanyl]-4H-1lambda6,4-benzothiazine 1,1-dioxide
| Molecular Formula | C19H21NO2S2 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 4.9156 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.10138 |
| Heavy Atoms | 24 |
| Complexity | 876.32794 |
Chemical Identifiers
| CAS Number | 477868-96-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=CS(=O)(=O)C3=CC=CC=C3N2 |
Product Overview
3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione (CAS 477868-96-5), with molecular formula C19H21NO2S2 and molecular weight 359.10 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-4H-1λ6,4-benzothiazine 1,1-dioxide.
Chemical Property Profile of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Property Insights of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione
The XLogP value of 4.9156 indicates that 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione 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 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione?
The CAS number of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione is 477868-96-5.
What is the molecular formula of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione?
The molecular formula of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione is C19H21NO2S2.
What is the molecular weight of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione?
The molecular weight of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione is 359.10 g/mol.
Where can I buy 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione?
You can request a quote for 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(tert-butyl)benzyl]sulfanyl}-1lambda~6~,4-benzothiazine-1,1(4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.