1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
TL;DR: 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea (CAS 115900-08-8) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Also Known As: 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea, KST-1A9956, 2-methyl-2-benzyl-1,3-benzodioxole, Urea,N,N-dimethyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-, N,N-Dimethyl-N'-(5-methyl-1,2-benzothiazol-3-yl)urea
Technical Specifications
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.07793 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.07793 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | CC1=CC2=C(C=C1)SN=C2NC(=O)N(C)C |
| InChIKey | SWGBUJGFBYMZRM-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Property Insights of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea 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 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The CAS number of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is 115900-08-8.
What is the molecular formula of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The molecular formula of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is C11H13N3OS.
What is the molecular weight of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The molecular weight of 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is 235.07793 g/mol.
Where can I buy 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
You can request a quote for 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
Yes, CoreyChem provides custom synthesis services for 1,1-Dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.