Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester
TL;DR: Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester (CAS 64145-10-4) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Also Known As: L 1544, ACETIC ACID, ((5-PHENYL-1,3,4-THIADIAZOL-2-YL)THIO)-, ETHYL ESTER, 4-27-00-07342 (Beilstein Handbook Reference), ((5-Phenyl-1,3,4-thiadiazol-2-yl)thio)acetic acid ethyl ester, (5-Fenil-1,3,4-tiadiazol-2-il-mercapto)-acetato etilico
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 64145-10-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)C2=CC=CC=C2 |
| InChIKey | AOPZIMQUPVBBKF-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester (CAS 64145-10-4), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: ethyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester
Property Insights of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester
The XLogP value of 3.2 indicates that Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 6 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 Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester?
The CAS number of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester is 64145-10-4.
What is the molecular formula of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester?
The molecular formula of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester is C12H12N2O2S2.
What is the molecular weight of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester?
The molecular weight of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester is 280.03 g/mol.
Where can I buy Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester?
You can request a quote for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.