3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea
TL;DR: 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea (CAS 113472-55-2) is a chemical compound with molecular formula C10H11N3O2S and molecular weight 237.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,2-benzothiazol-3-yl)-1-methoxy-1-methylurea
Also Known As: 3-(1,2-benzothiazol-3-yl)-1-methoxy-1-methylurea, Urea, 3-(1,2-benzothiazol-3-yl)-1-methoxy-1-methyl-, Urea,N'-1,2-benzisothiazol-3-yl-N-methoxy-N-methyl-, N'-(1,2-Benzothiazol-3-yl)-N-methoxy-N-methylurea, Urea,N'-1,2-benzisothiazol-3-yl-N-methoxy-N-methyl
Technical Specifications
| Molecular Formula | C10H11N3O2S |
| Molecular Weight | 237.0572 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0572 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | CN(C(=O)NC1=NSC2=CC=CC=C21)OC |
| InChIKey | BBNINZSRHVHUTL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea
Property Insights of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea. Following Lipinski's Rule of Five, 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea 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 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea?
The CAS number of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea is 113472-55-2.
What is the molecular formula of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea?
The molecular formula of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea is C10H11N3O2S.
What is the molecular weight of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea?
The molecular weight of 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea is 237.0572 g/mol.
Where can I buy 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea?
You can request a quote for 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea?
Yes, CoreyChem provides custom synthesis services for 3-(1,2-Benzothiazol-3-yl)-1-methoxy-1-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.