![1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea structure](/static/products/701/701947-68-4.png)
1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea
TL;DR: 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea (CAS 701947-68-4) is a chemical compound with molecular formula C11H12FN5S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methylthiourea
Also Known As: SDCCGMLS-0065300.P001, 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea, N-[1-(3-FLUOROBENZYL)-1H-1,2,4-TRIAZOL-3-YL]-N'-METHYLTHIOUREA, 1-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methylthiourea
| Molecular Formula | C11H12FN5S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.3817 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07974 |
| Heavy Atoms | 18 |
| Complexity | 553.8715 |
Chemical Identifiers
| CAS Number | 701947-68-4 |
|---|---|
| SMILES | CNC(=S)NC1=NN(C=N1)CC2=CC(=CC=C2)F |
Product Overview
1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea (CAS 701947-68-4), with molecular formula C11H12FN5S and molecular weight 265.08 g/mol. IUPAC: 1-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methylthiourea.
Chemical Property Profile of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea
Property Insights of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea
The XLogP value of 1.3817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea. With a topological polar surface area (TPSA) of 54.77 Ų, 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea has 2 hydrogen bond donor(s) and 3 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-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea?
The CAS number of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea is 701947-68-4.
What is the molecular formula of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea?
The molecular formula of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea is C11H12FN5S.
What is the molecular weight of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea?
The molecular weight of 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea is 265.08 g/mol.
Where can I buy 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea?
You can request a quote for 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.