2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid
TL;DR: 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid (CAS 29401-60-3) is a chemical compound with molecular formula C7H5NO3S3 and molecular weight 246.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic acid
Also Known As: EINECS 249-607-4, 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid, 2-Thioxo-2,3-dihydrobenzo(d)thiazole-6-sulfonic acid, 2,3-Dihydro-2-thioxo-6-benzothiazolesulfonic acid, 2,3-dihydro-2-thioxobenzothiazole-6-sulphonicacid
| Molecular Formula | C7H5NO3S3 |
|---|---|
| Molecular Weight | 246.94 g/mol |
| LogP | 2.20559 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.94316 |
| Heavy Atoms | 14 |
| Complexity | 637.48895 |
Chemical Identifiers
| CAS Number | 29401-60-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)SC(=S)N2 |
Product Overview
2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid (CAS 29401-60-3), with molecular formula C7H5NO3S3 and molecular weight 246.94 g/mol. IUPAC: 2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic acid.
Chemical Property Profile of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid
Property Insights of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid
The XLogP value of 2.20559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid. Following Lipinski's Rule of Five, 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid has 2 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 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid?
The CAS number of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid is 29401-60-3.
What is the molecular formula of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid?
The molecular formula of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid is C7H5NO3S3.
What is the molecular weight of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid?
The molecular weight of 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid is 246.94 g/mol.
Where can I buy 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid?
You can request a quote for 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.