4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride
TL;DR: 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride (CAS 77529-06-7) is a chemical compound with molecular formula C9H15ClN2S and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
Also Known As: 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride, 6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-, hydrochloride, (N-Methylaminomethyl)-6 tetrahydro-4,5,6,7-benzo(d)thiazole chlorhydrate [French], (N-Methylaminomethyl)-6 tetrahydro-4,5,6,7-benzo(d)thiazole chlorhydrate, N-Methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine--hydrogen chloride (1/1)
| Molecular Formula | C9H15ClN2S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.8892 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06445 |
| Heavy Atoms | 13 |
| Complexity | 261.8723 |
Chemical Identifiers
| CAS Number | 77529-06-7 |
|---|---|
| SMILES | CNCC1CCC2=C(C1)SC=N2.Cl |
Product Overview
4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride (CAS 77529-06-7), with molecular formula C9H15ClN2S and molecular weight 218.06 g/mol. IUPAC: N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride.
Chemical Property Profile of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride
Property Insights of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride
The XLogP value of 1.8892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride. With a topological polar surface area (TPSA) of 24.92 Ų, 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride 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-N-methyl-6-benzothiazolemethanamine hydrochloride?
The CAS number of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride is 77529-06-7.
What is the molecular formula of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride?
The molecular formula of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride is C9H15ClN2S.
What is the molecular weight of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride?
The molecular weight of 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride is 218.06 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride?
You can request a quote for 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride 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-N-methyl-6-benzothiazolemethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-N-methyl-6-benzothiazolemethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.