2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine
TL;DR: 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine (CAS 7403-82-9) is a chemical compound with molecular formula C10H11ClN4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine
Also Known As: 2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine, 2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine;hydrobromide
| Molecular Formula | C10H11ClN4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 2.4575 |
| Topological Polar Surface Area | 54.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.03929 |
| Heavy Atoms | 16 |
| Complexity | 546.7427 |
Chemical Identifiers
| CAS Number | 7403-82-9 |
|---|---|
| SMILES | CN(C)/C(=N/C1=NC2=C(S1)C=C(C=C2)Cl)/N |
Product Overview
2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine (CAS 7403-82-9), with molecular formula C10H11ClN4S and molecular weight 254.04 g/mol. IUPAC: 2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine.
Chemical Property Profile of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine
Property Insights of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine
The XLogP value of 2.4575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine. With a topological polar surface area (TPSA) of 54.51 Ų, 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine has 1 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 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine?
The CAS number of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine is 7403-82-9.
What is the molecular formula of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine?
The molecular formula of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine is C10H11ClN4S.
What is the molecular weight of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine?
The molecular weight of 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine is 254.04 g/mol.
Where can I buy 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine?
You can request a quote for 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.