3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-
TL;DR: 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- (CAS 512813-65-9) 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.
4-benzyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-, 4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-benzyl-5-(4-chloro-1-methyl-pyrazol-3-yl)-2H-1,2,4-triazole-3-thione, 5-(4-chloro-1-methylpyrazol-3-yl)-4-benzyl-1,2,4-triazole-3-thiol
| Molecular Formula | C13H12ClN5S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.04289 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.0502 |
| Heavy Atoms | 20 |
| Complexity | 786.70197 |
Chemical Identifiers
| CAS Number | 512813-65-9 |
|---|---|
| SMILES | CN1C=C(C(=N1)C2=NNC(=S)N2CC3=CC=CC=C3)Cl |
Product Overview
3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- (CAS 512813-65-9), with molecular formula C13H12ClN5S and molecular weight 305.05 g/mol. IUPAC: 4-benzyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-
Property Insights of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-
The XLogP value of 3.04289 indicates that 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- 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 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- is 512813-65-9.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- is C13H12ClN5S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- is 305.05 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-4-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.