2-Guanidinobenzothiazole
TL;DR: 2-Guanidinobenzothiazole (CAS 2582-07-2) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)guanidine
Also Known As: (2-Benzothiazolyl)-guanidine, Benzothiazole guanidine, N-1,3-benzothiazol-2-ylguanidine, Benzothiazol-2-ylguanidine, 1-(Benzo[d]Thiazol-2-yl)guanidine
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 2582-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N=C(N)N |
| InChIKey | QMHWARSFUCGBJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Guanidinobenzothiazole (CAS 2582-07-2), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)guanidine.
Chemical Property Profile of 2-Guanidinobenzothiazole
Property Insights of 2-Guanidinobenzothiazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Guanidinobenzothiazole. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Guanidinobenzothiazole. Following Lipinski's Rule of Five, 2-Guanidinobenzothiazole 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 2-Guanidinobenzothiazole?
The CAS number of 2-Guanidinobenzothiazole is 2582-07-2.
What is the molecular formula of 2-Guanidinobenzothiazole?
The molecular formula of 2-Guanidinobenzothiazole is C8H8N4S.
What is the molecular weight of 2-Guanidinobenzothiazole?
The molecular weight of 2-Guanidinobenzothiazole is 192.05 g/mol.
Where can I buy 2-Guanidinobenzothiazole?
You can request a quote for 2-Guanidinobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Guanidinobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Guanidinobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.