1-(1,2-Benzothiazol-3-yl)-3-butylurea
TL;DR: 1-(1,2-Benzothiazol-3-yl)-3-butylurea (CAS 104121-47-3) 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-(1,2-benzothiazol-3-yl)-3-butylurea
Also Known As: 1-(1,2-benzothiazol-3-yl)-3-butylurea, KST-1A9894, Urea, 1-(1,2-benzothiazol-3-yl)-3-butyl-, Urea,N-1,2-benzisothiazol-3-yl-N'-butyl-, N-(1,2-Benzothiazol-3-yl)-N'-butylurea
Technical Specifications
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.09358 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.09358 Da |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
| SMILES | CCCCNC(=O)NC1=NSC2=CC=CC=C21 |
| InChIKey | KETPEDRTSXCYFB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,2-Benzothiazol-3-yl)-3-butylurea
Property Insights of 1-(1,2-Benzothiazol-3-yl)-3-butylurea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,2-Benzothiazol-3-yl)-3-butylurea. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,2-Benzothiazol-3-yl)-3-butylurea. Following Lipinski's Rule of Five, 1-(1,2-Benzothiazol-3-yl)-3-butylurea 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-(1,2-Benzothiazol-3-yl)-3-butylurea?
The CAS number of 1-(1,2-Benzothiazol-3-yl)-3-butylurea is 104121-47-3.
What is the molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-butylurea?
The molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-butylurea is C12H15N3OS.
What is the molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-butylurea?
The molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-butylurea is 249.09358 g/mol.
Where can I buy 1-(1,2-Benzothiazol-3-yl)-3-butylurea?
You can request a quote for 1-(1,2-Benzothiazol-3-yl)-3-butylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,2-Benzothiazol-3-yl)-3-butylurea?
Yes, CoreyChem provides custom synthesis services for 1-(1,2-Benzothiazol-3-yl)-3-butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.