1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea
TL;DR: 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea (CAS 113494-35-2) 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.
1-(3-methoxy-1,2-benzothiazol-5-yl)-3-methylurea
Also Known As: 1-(3-methoxy-1,2-benzothiazol-5-yl)-3-methylurea, KST-1A9900, ethyl 1,2-benzothiazol-3-ylcarbamate, Urea, 1-(3-methoxy-1,2-benzothiazol-5-yl)-3-methyl-, N-(3-Methoxy-1,2-benzothiazol-5-yl)-N'-methylurea
Technical Specifications
| Molecular Formula | C10H11N3O2S |
| Molecular Weight | 237.0572 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0572 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | CNC(=O)NC1=CC2=C(C=C1)SN=C2OC |
| InChIKey | MHXQASBIIBJANE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea
Property Insights of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea. Following Lipinski's Rule of Five, 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea has 2 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 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea?
The CAS number of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea is 113494-35-2.
What is the molecular formula of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea?
The molecular formula of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea is C10H11N3O2S.
What is the molecular weight of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea?
The molecular weight of 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea is 237.0572 g/mol.
Where can I buy 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea?
You can request a quote for 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methoxy-1,2-benzothiazol-5-yl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.