1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea
TL;DR: 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea (CAS 105734-48-3) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea
Also Known As: 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea, KST-1A9948, Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-N'-(1-methylethyl)-, N-(5-Methyl-1,2-benzothiazol-3-yl)-N'-(propan-2-yl)urea, 3-(3-methyl-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)-1-propan-2-yl-urea
Technical Specifications
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.09358 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09358 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CC1=CC2=C(C=C1)SN=C2NC(=O)NC(C)C |
| InChIKey | RDWHAMDWTIYXTK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea
Property Insights of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea. Following Lipinski's Rule of Five, 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea has 2 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-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea?
The CAS number of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea is 105734-48-3.
What is the molecular formula of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea?
The molecular formula of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea is C12H15N3OS.
What is the molecular weight of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea?
The molecular weight of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea is 249.09358 g/mol.
Where can I buy 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea?
You can request a quote for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea?
Yes, CoreyChem provides custom synthesis services for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.