1,3-苯并噻唑-2-磺酸
TL;DR: 1,3-苯并噻唑-2-磺酸 (CAS 941-57-1) is a chemical compound with molecular formula C7H5NO3S2 and molecular weight 214.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-苯并噻唑-2-磺酸
1,3-benzothiazole-2-sulfonic acid
Also Known As: Benzothiazole-2-sulfonic acid, 1,3-Benzothiazole-2-sulfonic acid, 2-Benzothiazolesulfonic acid, 2-Sulfobenzothiazole, benzo[d]thiazole-2-sulfonic acid
| Molecular Formula | C7H5NO3S2 |
|---|---|
| Molecular Weight | 214.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.97108 |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 941-57-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O |
| InChIKey | ZCXGMSGCBDSEOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并噻唑-2-磺酸 (CAS 941-57-1), with molecular formula C7H5NO3S2 and molecular weight 214.97 g/mol. IUPAC: 1,3-benzothiazole-2-sulfonic acid.
Chemical Property Profile of 1,3-苯并噻唑-2-磺酸
Property Insights of 1,3-苯并噻唑-2-磺酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并噻唑-2-磺酸. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-苯并噻唑-2-磺酸. Following Lipinski's Rule of Five, 苯并噻唑-2-磺酸 has 1 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 苯并噻唑-2-磺酸?
The CAS number of 苯并噻唑-2-磺酸 is 941-57-1.
What is the molecular formula of 苯并噻唑-2-磺酸?
The molecular formula of 苯并噻唑-2-磺酸 is C7H5NO3S2.
What is the molecular weight of 苯并噻唑-2-磺酸?
The molecular weight of 苯并噻唑-2-磺酸 is 214.97 g/mol.
Where can I buy 苯并噻唑-2-磺酸?
You can request a quote for 苯并噻唑-2-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并噻唑-2-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 苯并噻唑-2-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.