S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate
TL;DR: S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate (CAS 959575-95-2) is a chemical compound with molecular formula C11H8Cl2N2OS and molecular weight 285.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate
Also Known As: S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate, S-(4-chlorophenyl) 5-chloro-1-methyl-1H-pyrazole-4-carbothioate, (5-chloro-1-methylpyrazol-4-yl)[(4-chlorophenyl)sulfanyl]methanone
| Molecular Formula | C11H8Cl2N2OS |
|---|---|
| Molecular Weight | 285.97 g/mol |
| LogP | 3.6594 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.97345 |
| Heavy Atoms | 17 |
| Complexity | 551.0991 |
Chemical Identifiers
| CAS Number | 959575-95-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)C(=O)SC2=CC=C(C=C2)Cl)Cl |
Product Overview
S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate (CAS 959575-95-2), with molecular formula C11H8Cl2N2OS and molecular weight 285.97 g/mol. IUPAC: S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate.
Chemical Property Profile of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate
Property Insights of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate
The XLogP value of 3.6594 indicates that S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate has 0 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 S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate?
The CAS number of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate is 959575-95-2.
What is the molecular formula of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate?
The molecular formula of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate is C11H8Cl2N2OS.
What is the molecular weight of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate?
The molecular weight of S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate is 285.97 g/mol.
Where can I buy S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate?
You can request a quote for S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) 5-chloro-1-methylpyrazole-4-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.