3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione (CAS 1005691-01-9) is a chemical compound with molecular formula C13H12ClN5S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione, 5-(2-chlorophenyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol, 5-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-2H-1,2,4-triazole-3-thione, 5-(2-CHLOROPHENYL)-4-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C13H12ClN5S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.29221 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0502 |
| Heavy Atoms | 20 |
| Complexity | 829.4018 |
Chemical Identifiers
| CAS Number | 1005691-01-9 |
|---|---|
| SMILES | CC1=NN(C=C1N2C(=NNC2=S)C3=CC=CC=C3Cl)C |
Product Overview
3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione (CAS 1005691-01-9), with molecular formula C13H12ClN5S and molecular weight 305.05 g/mol. IUPAC: 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.29221 indicates that 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-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-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is 1005691-01-9.
What is the molecular formula of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is C13H12ClN5S.
What is the molecular weight of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is 305.05 g/mol.
Where can I buy 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-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-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.