1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole
TL;DR: 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole (CAS 1004193-43-4) is a chemical compound with molecular formula C13H11Cl2N3S and molecular weight 311.00507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,4-dichlorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole
Also Known As: 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole, 1-[(2,4-dichlorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole, 1-[(2,4-dichlorophenyl)methyl]-4-isothiocyanato-3,5-dimethyl-1H-pyrazole, 1-(2,4-dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole, 1-(2,4-dichlorophenyl)methyl-4-isothiocyanato-3,5-dimethyl-1H-pyrazole
Technical Specifications
| Molecular Formula | C13H11Cl2N3S |
| Molecular Weight | 311.00507 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.00507 Da |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
| SMILES | CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)N=C=S |
| InChIKey | WDIAOWWVZSSAEU-UHFFFAOYSA-N |
Product Description
Applications: 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is a fine chemical identified by CAS number 1004193-43-4 and the molecular formula C13H11Cl2N3S and a molecular weight of 311.01 g/mol. Synonyms include 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole and 1-[(2,4-dichlorophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole
Property Insights of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole
The XLogP value of 5.3 indicates that 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is 1004193-43-4.
What is the molecular formula of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is C13H11Cl2N3S.
What is the molecular weight of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is 311.00507 g/mol.
What are the applications of 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole?
1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.