(5-Chloro-1,2-benzothiazol-3-yl)urea
TL;DR: (5-Chloro-1,2-benzothiazol-3-yl)urea (CAS 115900-10-2) is a chemical compound with molecular formula C8H6ClN3OS and molecular weight 226.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-1,2-benzothiazol-3-yl)urea
Also Known As: Bonafousioside, (5-Chloro-1,2-benzothiazol-3-yl)urea, KST-1A9957, 1-(5-chloro-1,2-benzothiazol-3-yl)urea, 2-methyl-2-benzyl-1,3-benzodioxole
| Molecular Formula | C8H6ClN3OS |
|---|---|
| Molecular Weight | 226.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.992 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 115900-10-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=NS2)NC(=O)N |
| InChIKey | VBOUWBFPRNDVBC-UHFFFAOYSA-N |
Product Overview
(5-Chloro-1,2-benzothiazol-3-yl)urea (CAS 115900-10-2), with molecular formula C8H6ClN3OS and molecular weight 226.99 g/mol. IUPAC: (5-chloro-1,2-benzothiazol-3-yl)urea.
Chemical Property Profile of (5-Chloro-1,2-benzothiazol-3-yl)urea
Property Insights of (5-Chloro-1,2-benzothiazol-3-yl)urea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-1,2-benzothiazol-3-yl)urea. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, (5-Chloro-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-Chloro-1,2-benzothiazol-3-yl)urea?
The CAS number of (5-Chloro-1,2-benzothiazol-3-yl)urea is 115900-10-2.
What is the molecular formula of (5-Chloro-1,2-benzothiazol-3-yl)urea?
The molecular formula of (5-Chloro-1,2-benzothiazol-3-yl)urea is C8H6ClN3OS.
What is the molecular weight of (5-Chloro-1,2-benzothiazol-3-yl)urea?
The molecular weight of (5-Chloro-1,2-benzothiazol-3-yl)urea is 226.99 g/mol.
Where can I buy (5-Chloro-1,2-benzothiazol-3-yl)urea?
You can request a quote for (5-Chloro-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-Chloro-1,2-benzothiazol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.