Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate
TL;DR: Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 72836-12-5) is a chemical compound with molecular formula C5H7N3O2S2 and molecular weight 205.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Also Known As: METHYL [(5-AMINO-1,3,4-THIADIAZOL-2-YL)THIO]ACETATE, CHEMBRDG-BB 7163017, methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate, Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate, Methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C5H7N3O2S2 |
|---|---|
| Molecular Weight | 205.00 g/mol |
| LogP | 0.3854 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.99797 |
| Heavy Atoms | 12 |
| Complexity | 275.412 |
Chemical Identifiers
| CAS Number | 72836-12-5 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(S1)N |
Product Overview
Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 72836-12-5), with molecular formula C5H7N3O2S2 and molecular weight 205.00 g/mol. IUPAC: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate
Property Insights of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate
The XLogP value of 0.3854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)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 Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate?
The CAS number of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate is 72836-12-5.
What is the molecular formula of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular formula of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate is C5H7N3O2S2.
What is the molecular weight of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular weight of Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate is 205.00 g/mol.
Where can I buy Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate?
You can request a quote for Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.