N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine
TL;DR: N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine (CAS 714921-22-9) is a chemical compound with molecular formula C7H9N3S and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine
Also Known As: N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine, (e)-n-((e)-but-2-en-1-ylidene)-5-methyl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C7H9N3S |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 2.12492 |
| Topological Polar Surface Area | 38.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05171 |
| Heavy Atoms | 11 |
| Complexity | 274.968 |
Chemical Identifiers
| CAS Number | 714921-22-9 |
|---|---|
| SMILES | CC=CC=NC1=NN=C(S1)C |
Product Overview
N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine (CAS 714921-22-9), with molecular formula C7H9N3S and molecular weight 167.05 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine.
Chemical Property Profile of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine
Property Insights of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine
The XLogP value of 2.12492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine. With a topological polar surface area (TPSA) of 38.14 Ų, N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine has 0 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 N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine?
The CAS number of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine is 714921-22-9.
What is the molecular formula of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine?
The molecular formula of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine is C7H9N3S.
What is the molecular weight of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine?
The molecular weight of N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine is 167.05 g/mol.
Where can I buy N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine?
You can request a quote for N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-en-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.