DITA
TL;DR: DITA (CAS 33983-16-3) is a chemical compound with molecular formula C11H11BrCl2N2OS and molecular weight 367.91525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide
Also Known As: DITA, 2-(3,4-Dichlorophenacylthio)-2-imidazoline hydrobromide, 3',4'-Dichloro-2-(2-imidazolin-2-ylthio)acetophenone hydrobromide, ACETOPHENONE, 3',4'-DICHLORO-2-(2-IMIDAZOLIN-2-YLTHIO)-, MONOHYDROBROMIDE, 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone;bromide
Technical Specifications
| Molecular Formula | C11H11BrCl2N2OS |
| Molecular Weight | 367.91525 g/mol |
| XLogP | -1.15 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.91525 Da |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
| SMILES | C1CN=C([NH2+]1)SCC(=O)C2=CC(=C(C=C2)Cl)Cl.[Br-] |
| InChIKey | MMDGOHSHOHOPGN-UHFFFAOYSA-N |
Product Description
Applications: DITA 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).
DITA is a fine chemical identified by CAS number 33983-16-3 and the molecular formula C11H11BrCl2N2OS and a molecular weight of 367.92 g/mol. Synonyms include DITA and 2-(3,4-Dichlorophenacylthio)-2-imidazoline hydrobromide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of DITA
Property Insights of DITA
The XLogP value of -1.15 indicates that DITA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for DITA. Following Lipinski's Rule of Five, DITA has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of DITA?
The CAS number of DITA is 33983-16-3.
What is the molecular formula of DITA?
The molecular formula of DITA is C11H11BrCl2N2OS.
What is the molecular weight of DITA?
The molecular weight of DITA is 367.91525 g/mol.
What are the applications of DITA?
DITA 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).
Where can I buy DITA?
You can request a quote for DITA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DITA?
Yes, CoreyChem provides custom synthesis services for DITA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.