2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate
TL;DR: 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate (CAS 51508-05-5) is a chemical compound with molecular formula C7H9N3OS and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-isocyanato-1,3,4-thiadiazole
Also Known As: 2-isocyanato-5-tert-butyl-1,3,4-thiadiazole, 5-t-buty-1,3,4-thiadiazol-2-yl isocyanate, 5-t-butyl-1,3,4-thiadiazol-2yl isocyanate, 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate, 2-tert-butyl-5-isocyanato-1,3,4-thiadiazole
| Molecular Formula | C7H9N3OS |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 1.8029 |
| Topological Polar Surface Area | 55.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.04663 |
| Heavy Atoms | 12 |
| Complexity | 319.63763 |
Chemical Identifiers
| CAS Number | 51508-05-5 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)N=C=O |
Product Overview
2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate (CAS 51508-05-5), with molecular formula C7H9N3OS and molecular weight 183.05 g/mol. IUPAC: 2-tert-butyl-5-isocyanato-1,3,4-thiadiazole.
Chemical Property Profile of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate
Property Insights of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate
The XLogP value of 1.8029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate. With a topological polar surface area (TPSA) of 55.21 Ų, 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate has 0 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 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate?
The CAS number of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate is 51508-05-5.
What is the molecular formula of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate?
The molecular formula of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate is C7H9N3OS.
What is the molecular weight of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate?
The molecular weight of 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate is 183.05 g/mol.
Where can I buy 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate?
You can request a quote for 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-t-Butyl-1,3,4-thiadiazol-5-yl Isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.