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Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
TL;DR: Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CAS 52494-15-2) is a chemical compound with molecular formula C12H13N3O2S2 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Also Known As: ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate, AB00116472-01, ethyl 2-{[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, Ethyl 2-((5-(phenylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)acetate, ethyl 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)thio)acetate
| Molecular Formula | C12H13N3O2S2 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 2.9369 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.04492 |
| Heavy Atoms | 19 |
| Complexity | 530.7806 |
Chemical Identifiers
| CAS Number | 52494-15-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2 |
Product Overview
Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CAS 52494-15-2), with molecular formula C12H13N3O2S2 and molecular weight 295.04 g/mol. IUPAC: ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Property Insights of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
The XLogP value of 2.9369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 7 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 Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The CAS number of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is 52494-15-2.
What is the molecular formula of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The molecular formula of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is C12H13N3O2S2.
What is the molecular weight of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The molecular weight of Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is 295.04 g/mol.
Where can I buy Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
You can request a quote for Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.