1,2,4-Oxadiazole-3-carbothioamide
TL;DR: 1,2,4-Oxadiazole-3-carbothioamide (CAS 39512-80-6) is a chemical compound with molecular formula C3H3N3OS and molecular weight 129.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-oxadiazole-3-carbothioamide
Also Known As: 1,2,4-oxadiazole-3-carbothioamide, Methyleneaminoacetonitrile, BAS 00319156, amino-1,2,4-oxadiazol-3-ylmethane-1-thione, [1,2,4]Oxadiazole-3-carbothioic acid amide
| Molecular Formula | C3H3N3OS |
|---|---|
| Molecular Weight | 129.00 g/mol |
| LogP | -0.2962 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.99968 |
| Heavy Atoms | 8 |
| Complexity | 182.41843 |
Chemical Identifiers
| CAS Number | 39512-80-6 |
|---|---|
| SMILES | C1=NC(=NO1)C(=S)N |
Product Overview
1,2,4-Oxadiazole-3-carbothioamide (CAS 39512-80-6), with molecular formula C3H3N3OS and molecular weight 129.00 g/mol. IUPAC: 1,2,4-oxadiazole-3-carbothioamide.
Chemical Property Profile of 1,2,4-Oxadiazole-3-carbothioamide
Property Insights of 1,2,4-Oxadiazole-3-carbothioamide
The XLogP value of -0.2962 indicates that 1,2,4-Oxadiazole-3-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Oxadiazole-3-carbothioamide. Following Lipinski's Rule of Five, 1,2,4-Oxadiazole-3-carbothioamide has 1 hydrogen bond donor(s) and 4 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 1,2,4-Oxadiazole-3-carbothioamide?
The CAS number of 1,2,4-Oxadiazole-3-carbothioamide is 39512-80-6.
What is the molecular formula of 1,2,4-Oxadiazole-3-carbothioamide?
The molecular formula of 1,2,4-Oxadiazole-3-carbothioamide is C3H3N3OS.
What is the molecular weight of 1,2,4-Oxadiazole-3-carbothioamide?
The molecular weight of 1,2,4-Oxadiazole-3-carbothioamide is 129.00 g/mol.
Where can I buy 1,2,4-Oxadiazole-3-carbothioamide?
You can request a quote for 1,2,4-Oxadiazole-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Oxadiazole-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazole-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.