2-Benzothiazolemethanamine
TL;DR: 2-Benzothiazolemethanamine (CAS 29198-41-2) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethanamine
Also Known As: 1,3-benzothiazol-2-ylmethylamine, Benzo[d]thiazol-2-ylmethanamine, 1,3-Benzothiazol-2-ylmethanamine, 2-Benzothiazolemethanamine, 2-ethyl-1h-indene
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 29198-41-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CN |
| InChIKey | VLBUERZRFSORRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolemethanamine (CAS 29198-41-2), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethanamine.
Chemical Property Profile of 2-Benzothiazolemethanamine
Property Insights of 2-Benzothiazolemethanamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolemethanamine. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolemethanamine. Following Lipinski's Rule of Five, 2-Benzothiazolemethanamine 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-Benzothiazolemethanamine?
The CAS number of 2-Benzothiazolemethanamine is 29198-41-2.
What is the molecular formula of 2-Benzothiazolemethanamine?
The molecular formula of 2-Benzothiazolemethanamine is C8H8N2S.
What is the molecular weight of 2-Benzothiazolemethanamine?
The molecular weight of 2-Benzothiazolemethanamine is 164.04 g/mol.
Where can I buy 2-Benzothiazolemethanamine?
You can request a quote for 2-Benzothiazolemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolemethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.