1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea
TL;DR: 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea (CAS 115834-33-8) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.07794 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-phenylurea
Also Known As: 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea, KST-1A9950, Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-N'-phenyl-, N-(5-Methyl-1,2-benzothiazol-3-yl)-N'-phenylurea, 1-(3-methyl-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)-3-phenyl-urea
Technical Specifications
| Molecular Formula | C15H13N3OS |
| Molecular Weight | 283.07794 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.07794 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | CC1=CC2=C(C=C1)SN=C2NC(=O)NC3=CC=CC=C3 |
| InChIKey | ZMSPEVZDAPBLLX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea
Property Insights of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea
The XLogP value of 3.6 indicates that 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-phenylurea. Following Lipinski's Rule of Five, 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea 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-phenylurea?
The CAS number of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea is 115834-33-8.
What is the molecular formula of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea?
The molecular formula of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea is C15H13N3OS.
What is the molecular weight of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea?
The molecular weight of 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea is 283.07794 g/mol.
Where can I buy 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea?
You can request a quote for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea 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-phenylurea?
Yes, CoreyChem provides custom synthesis services for 1-(5-Methyl-1,2-benzothiazol-3-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.