1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea
TL;DR: 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea (CAS 113412-15-0) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,2-benzothiazol-3-yl)-3-propan-2-ylurea
Also Known As: 4-Ahebzs, 1-(1,2-benzothiazol-3-yl)-3-propan-2-ylurea, KST-1A9893, 4-alpha-Hydroxyethylbenzenesulfonamide, Urea, 1-(1,2-benzothiazol-3-yl)-3-propan-2-yl-
Technical Specifications
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.07793 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.07793 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | CC(C)NC(=O)NC1=NSC2=CC=CC=C21 |
| InChIKey | ZQDLUIVPNYPINN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea
Property Insights of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(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-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea. Following Lipinski's Rule of Five, 1-(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-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea?
The CAS number of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea is 113412-15-0.
What is the molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea?
The molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea is C11H13N3OS.
What is the molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea?
The molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea is 235.07793 g/mol.
Where can I buy 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea?
You can request a quote for 1-(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-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea?
Yes, CoreyChem provides custom synthesis services for 1-(1,2-Benzothiazol-3-yl)-3-propan-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.