2-(2-苯并噻唑基硫代)乙酸
TL;DR: 2-(2-苯并噻唑基硫代)乙酸 (CAS 6295-57-4) is a chemical compound with molecular formula C9H7NO2S2 and molecular weight 224.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-苯并噻唑基硫代)乙酸
2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
Also Known As: (2-Benzothiazolylthio)acetic Acid, Acetic acid, (2-benzothiazolylthio)-, 2-(Carboxymethylthio)benzothiazole, 2-(benzo[d]thiazol-2-ylthio)acetic acid, 2-(2-Benzothiazolylthio)acetic acid
| Molecular Formula | C9H7NO2S2 |
|---|---|
| Molecular Weight | 224.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.99182 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| Solubility | >33.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 6295-57-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)O |
| InChIKey | ZZUQWNYNSKJLPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-苯并噻唑基硫代)乙酸 (CAS 6295-57-4), with molecular formula C9H7NO2S2 and molecular weight 224.99 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid.
Chemical Property Profile of 2-(2-苯并噻唑基硫代)乙酸
Property Insights of 2-(2-苯并噻唑基硫代)乙酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-苯并噻唑基硫代)乙酸. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-苯并噻唑基硫代)乙酸. Following Lipinski's Rule of Five, 2-(2-苯并噻唑基硫代)乙酸 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 2-(2-苯并噻唑基硫代)乙酸?
The CAS number of 2-(2-苯并噻唑基硫代)乙酸 is 6295-57-4.
What is the molecular formula of 2-(2-苯并噻唑基硫代)乙酸?
The molecular formula of 2-(2-苯并噻唑基硫代)乙酸 is C9H7NO2S2.
What is the molecular weight of 2-(2-苯并噻唑基硫代)乙酸?
The molecular weight of 2-(2-苯并噻唑基硫代)乙酸 is 224.99 g/mol.
Where can I buy 2-(2-苯并噻唑基硫代)乙酸?
You can request a quote for 2-(2-苯并噻唑基硫代)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-苯并噻唑基硫代)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-苯并噻唑基硫代)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.