4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine
TL;DR: 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine (CAS 77528-47-3) is a chemical compound with molecular formula C8H12N2S and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine
Also Known As: J1.636.513K, 4,5,6,7-Tetrahydrobenzothiazole-4-methanamine, 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine, 4,5,6,7-tetrahydrobenzothiazol-4-ylmethanamine, 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine
| Molecular Formula | C8H12N2S |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.5217 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07211 |
| Heavy Atoms | 11 |
| Complexity | 243.99503 |
Chemical Identifiers
| CAS Number | 77528-47-3 |
|---|---|
| SMILES | C1CC(C2=C(C1)SC=N2)CN |
Product Overview
4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine (CAS 77528-47-3), with molecular formula C8H12N2S and molecular weight 168.07 g/mol. IUPAC: 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine.
Chemical Property Profile of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine
Property Insights of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine
The XLogP value of 1.5217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine. With a topological polar surface area (TPSA) of 38.91 Ų, 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine 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 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine?
The CAS number of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine is 77528-47-3.
What is the molecular formula of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine?
The molecular formula of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine is C8H12N2S.
What is the molecular weight of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine?
The molecular weight of 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine is 168.07 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine?
You can request a quote for 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-1,3-benzothiazol-4-ylmethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.