2-乙氧羰基甲基苯并噻唑硫醇
TL;DR: 2-乙氧羰基甲基苯并噻唑硫醇 (CAS 24044-88-0) is a chemical compound with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙氧羰基甲基苯并噻唑硫醇
ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate, USAF T-4, 2-Carbethoxymethyl thiobenzothiazole, IFLab1_003772, Benzothiazole, 2-carbethoxymethylthio-
| Molecular Formula | C11H11NO2S2 |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.02312 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 24044-88-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2S1 |
| InChIKey | OOZLAJJSFPATME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙氧羰基甲基苯并噻唑硫醇 (CAS 24044-88-0), with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of 2-乙氧羰基甲基苯并噻唑硫醇
Property Insights of 2-乙氧羰基甲基苯并噻唑硫醇
The XLogP value of 3.4 indicates that 2-乙氧羰基甲基苯并噻唑硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙氧羰基甲基苯并噻唑硫醇. Following Lipinski's Rule of Five, 2-乙氧羰基甲基苯并噻唑硫醇 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 2-乙氧羰基甲基苯并噻唑硫醇?
The CAS number of 2-乙氧羰基甲基苯并噻唑硫醇 is 24044-88-0.
What is the molecular formula of 2-乙氧羰基甲基苯并噻唑硫醇?
The molecular formula of 2-乙氧羰基甲基苯并噻唑硫醇 is C11H11NO2S2.
What is the molecular weight of 2-乙氧羰基甲基苯并噻唑硫醇?
The molecular weight of 2-乙氧羰基甲基苯并噻唑硫醇 is 253.02 g/mol.
Where can I buy 2-乙氧羰基甲基苯并噻唑硫醇?
You can request a quote for 2-乙氧羰基甲基苯并噻唑硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙氧羰基甲基苯并噻唑硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2-乙氧羰基甲基苯并噻唑硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.