3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea
TL;DR: 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea (CAS 115946-69-5) is a chemical compound with molecular formula C10H10ClN3OS and molecular weight 255.02332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea
Also Known As: 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea, 2-methyl-2-benzyl-1,3-benzodioxole, Urea,N'-(5-chloro-1,2-benzisothiazol-3-yl)-N,N-dimethyl-, N'-(5-Chloro-1,2-benzothiazol-3-yl)-N,N-dimethylurea, 3-(3-chloro-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)-1,1-dimethyl-urea
Technical Specifications
| Molecular Formula | C10H10ClN3OS |
| Molecular Weight | 255.02332 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.02332 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | CN(C)C(=O)NC1=NSC2=C1C=C(C=C2)Cl |
| InChIKey | DAUUGUKEIYQDJZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea
Property Insights of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea. Following Lipinski's Rule of Five, 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea 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
What is the CAS number of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea?
The CAS number of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea is 115946-69-5.
What is the molecular formula of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea?
The molecular formula of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea is C10H10ClN3OS.
What is the molecular weight of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea?
The molecular weight of 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea is 255.02332 g/mol.
Where can I buy 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea?
You can request a quote for 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea?
Yes, CoreyChem provides custom synthesis services for 3-(5-Chloro-1,2-benzothiazol-3-yl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.