3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one
TL;DR: 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one (CAS 211388-16-8) is a chemical compound with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-amino-1,3,4-thiadiazol-2-one
Also Known As: 3-acetyl-5-amino-1,3,4-thiadiazol-2-one, 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one, 3-Acetyl-5-amino-1,3,4-thiadiazole-2(3H)-one, 3-acetyl-5-amino-2,3-dihydro-1,3,4-thiadiazol-2-one, 1,3,4-Thiadiazol-2(3H)-one, 3-acetyl-5-amino- (9CI)
| Molecular Formula | C4H5N3O2S |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | -0.4529 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.01025 |
| Heavy Atoms | 10 |
| Complexity | 312.54776 |
Chemical Identifiers
| CAS Number | 211388-16-8 |
|---|---|
| SMILES | CC(=O)N1C(=O)SC(=N1)N |
Product Overview
3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one (CAS 211388-16-8), with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol. IUPAC: 3-acetyl-5-amino-1,3,4-thiadiazol-2-one.
Chemical Property Profile of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one
Property Insights of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one
The XLogP value of -0.4529 indicates that 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one. Following Lipinski's Rule of Five, 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one 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 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one?
The CAS number of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one is 211388-16-8.
What is the molecular formula of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one?
The molecular formula of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one is C4H5N3O2S.
What is the molecular weight of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one?
The molecular weight of 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one is 159.01 g/mol.
Where can I buy 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one?
You can request a quote for 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-5-amino-1,3,4-thiadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.