1,3-Benzothiazole-2,5,6-triamine
TL;DR: 1,3-Benzothiazole-2,5,6-triamine (CAS 313269-93-1) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-2,5,6-triamine
Also Known As: 1,3-benzothiazole-2,5,6-triamine, Benzothiazole-2,5,6-triamine, 2,5,6-Benzothiazoletriamine, Phosphine, tris(2-chlorophenyl)-, BAS 03422543
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.0429 |
| Topological Polar Surface Area | 90.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 395.14417 |
Chemical Identifiers
| CAS Number | 313269-93-1 |
|---|---|
| SMILES | C1=C(C(=CC2=C1N=C(S2)N)N)N |
Product Overview
1,3-Benzothiazole-2,5,6-triamine (CAS 313269-93-1), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 1,3-benzothiazole-2,5,6-triamine.
Chemical Property Profile of 1,3-Benzothiazole-2,5,6-triamine
Property Insights of 1,3-Benzothiazole-2,5,6-triamine
The XLogP value of 1.0429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzothiazole-2,5,6-triamine. The TPSA of 90.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzothiazole-2,5,6-triamine. Following Lipinski's Rule of Five, 1,3-Benzothiazole-2,5,6-triamine has 3 hydrogen bond donor(s) and 5 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 1,3-Benzothiazole-2,5,6-triamine?
The CAS number of 1,3-Benzothiazole-2,5,6-triamine is 313269-93-1.
What is the molecular formula of 1,3-Benzothiazole-2,5,6-triamine?
The molecular formula of 1,3-Benzothiazole-2,5,6-triamine is C7H8N4S.
What is the molecular weight of 1,3-Benzothiazole-2,5,6-triamine?
The molecular weight of 1,3-Benzothiazole-2,5,6-triamine is 180.05 g/mol.
Where can I buy 1,3-Benzothiazole-2,5,6-triamine?
You can request a quote for 1,3-Benzothiazole-2,5,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazole-2,5,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazole-2,5,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.