3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione (CAS 1005646-08-1) is a chemical compound with molecular formula C9H10BrN5S and molecular weight 298.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione, 5-(4-bromo-1-methyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazole-3-thiol, 5-(4-bromo-1-methyl-pyrazol-3-yl)-4-cyclopropyl-2H-1,2,4-triazole-3-thione, 5-(4-BROMO-1-METHYL-1H-PYRAZOL-3-YL)-4-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C9H10BrN5S |
|---|---|
| Molecular Weight | 298.98 g/mol |
| LogP | 2.43859 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.98404 |
| Heavy Atoms | 16 |
| Complexity | 591.30646 |
Chemical Identifiers
| CAS Number | 1005646-08-1 |
|---|---|
| SMILES | CN1C=C(C(=N1)C2=NNC(=S)N2C3CC3)Br |
Product Overview
3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione (CAS 1005646-08-1), with molecular formula C9H10BrN5S and molecular weight 298.98 g/mol. IUPAC: 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
The XLogP value of 2.43859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 51.43 Ų, 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione has 1 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 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione is 1005646-08-1.
What is the molecular formula of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione is C9H10BrN5S.
What is the molecular weight of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione is 298.98 g/mol.
Where can I buy 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromo-1-methylpyrazol-3-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.