![3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate structure](/static/products/2953/295346-19-9.webp)
3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
TL;DR: 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate (CAS 295346-19-9) is a chemical compound with molecular formula C13H13NO3S3 and molecular weight 327.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Also Known As: BAS 00009562, 3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate, 3-(2-methylthiopheno[3,2-e]benzothiazolyl)propanesulfonic acid, 3-(2-METHYLTHIENO[3,2-E][1,3]BENZOTHIAZOL-1-IUM-1-YL)-1-PROPANESULFONATE
| Molecular Formula | C13H13NO3S3 |
|---|---|
| Molecular Weight | 327.01 g/mol |
| LogP | 2.64722 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.00577 |
| Heavy Atoms | 20 |
| Complexity | 876.922 |
Chemical Identifiers
| CAS Number | 295346-19-9 |
|---|---|
| SMILES | CC1=[N+](C2=C(S1)C=CC3=C2C=CS3)CCCS(=O)(=O)[O-] |
Product Overview
3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate (CAS 295346-19-9), with molecular formula C13H13NO3S3 and molecular weight 327.01 g/mol. IUPAC: 3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Property Insights of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
The XLogP value of 2.64722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate. Following Lipinski's Rule of Five, 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate has 0 hydrogen bond donor(s) and 5 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-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate?
The CAS number of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate is 295346-19-9.
What is the molecular formula of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate?
The molecular formula of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate is C13H13NO3S3.
What is the molecular weight of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate?
The molecular weight of 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate is 327.01 g/mol.
Where can I buy 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate?
You can request a quote for 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.