(5-Methyl-1,2-benzothiazol-3-yl)urea
TL;DR: (5-Methyl-1,2-benzothiazol-3-yl)urea (CAS 105734-45-0) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-1,2-benzothiazol-3-yl)urea
Also Known As: (5-Methyl-1,2-benzothiazol-3-yl)urea, KST-1A9946, 1-(5-methyl-1,2-benzothiazol-3-yl)urea, 2-methyl-2-benzyl-1,3-benzodioxole, N-(5-Methyl-1,2-benzothiazol-3-yl)urea
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 105734-45-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SN=C2NC(=O)N |
| InChIKey | OUIQWMBAAIIZHB-UHFFFAOYSA-N |
Product Overview
(5-Methyl-1,2-benzothiazol-3-yl)urea (CAS 105734-45-0), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: (5-methyl-1,2-benzothiazol-3-yl)urea.
Chemical Property Profile of (5-Methyl-1,2-benzothiazol-3-yl)urea
Property Insights of (5-Methyl-1,2-benzothiazol-3-yl)urea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methyl-1,2-benzothiazol-3-yl)urea. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methyl-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, (5-Methyl-1,2-benzothiazol-3-yl)urea 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
Frequently Asked Questions
What is the CAS number of (5-Methyl-1,2-benzothiazol-3-yl)urea?
The CAS number of (5-Methyl-1,2-benzothiazol-3-yl)urea is 105734-45-0.
What is the molecular formula of (5-Methyl-1,2-benzothiazol-3-yl)urea?
The molecular formula of (5-Methyl-1,2-benzothiazol-3-yl)urea is C9H9N3OS.
What is the molecular weight of (5-Methyl-1,2-benzothiazol-3-yl)urea?
The molecular weight of (5-Methyl-1,2-benzothiazol-3-yl)urea is 207.05 g/mol.
Where can I buy (5-Methyl-1,2-benzothiazol-3-yl)urea?
You can request a quote for (5-Methyl-1,2-benzothiazol-3-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methyl-1,2-benzothiazol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.