1,1-Dioxo-1,2-benzothiazole-3-thione
TL;DR: 1,1-Dioxo-1,2-benzothiazole-3-thione (CAS 27148-03-4) is a chemical compound with molecular formula C7H5NO2S2 and molecular weight 198.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-1,2-benzothiazole-3-thione
Also Known As: Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, 1,1-Dioxo-1,2-benzothiazole-3-thione, 1,2-Benzisothiazole-3(2H)-thione 1,1-dioxide, 1,2-benzisothiazol-3-(2H)-thione-1,1-dioxide, 3-Mercaptobenzisothiazole S,S-dioxide
| Molecular Formula | C7H5NO2S2 |
|---|---|
| Molecular Weight | 198.98 g/mol |
| LogP | 0.654 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.97617 |
| Heavy Atoms | 12 |
| Complexity | 450.2291 |
Chemical Identifiers
| CAS Number | 27148-03-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)NS2(=O)=O |
Product Overview
1,1-Dioxo-1,2-benzothiazole-3-thione (CAS 27148-03-4), with molecular formula C7H5NO2S2 and molecular weight 198.98 g/mol. IUPAC: 1,1-dioxo-1,2-benzothiazole-3-thione.
Chemical Property Profile of 1,1-Dioxo-1,2-benzothiazole-3-thione
Property Insights of 1,1-Dioxo-1,2-benzothiazole-3-thione
The XLogP value of 0.654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxo-1,2-benzothiazole-3-thione. With a topological polar surface area (TPSA) of 46.17 Ų, 1,1-Dioxo-1,2-benzothiazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dioxo-1,2-benzothiazole-3-thione has 1 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 1,1-Dioxo-1,2-benzothiazole-3-thione?
The CAS number of 1,1-Dioxo-1,2-benzothiazole-3-thione is 27148-03-4.
What is the molecular formula of 1,1-Dioxo-1,2-benzothiazole-3-thione?
The molecular formula of 1,1-Dioxo-1,2-benzothiazole-3-thione is C7H5NO2S2.
What is the molecular weight of 1,1-Dioxo-1,2-benzothiazole-3-thione?
The molecular weight of 1,1-Dioxo-1,2-benzothiazole-3-thione is 198.98 g/mol.
Where can I buy 1,1-Dioxo-1,2-benzothiazole-3-thione?
You can request a quote for 1,1-Dioxo-1,2-benzothiazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-1,2-benzothiazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-1,2-benzothiazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.