Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)
TL;DR: Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) (CAS 22964-01-8) is a chemical compound with molecular formula C12H16ClNS and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-[2-(5-methyl-1-benzothiophen-3-yl)ethyl]azanium chloride
Also Known As: N,5-Dimethylbenzo(b)thiophene-3-ethylamine hydrochloride, BENZO(b)THIOPHENE-3-ETHYLAMINE, N,5-DIMETHYL-, HYDROCHLORIDE, Benzo[b]thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride, Benzo[b]thiophene-3-ethylamine, N,5-dimethyl-, hydrochloride, Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)
| Molecular Formula | C12H16ClNS |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | -1.05 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0692 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 22964-01-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC=C2CC[NH2+]C.[Cl-] |
| InChIKey | VAMSJDDNJTVJPS-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) (CAS 22964-01-8), with molecular formula C12H16ClNS and molecular weight 241.07 g/mol. IUPAC: methyl-[2-(5-methyl-1-benzothiophen-3-yl)ethyl]azanium chloride.
Chemical Property Profile of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)
Property Insights of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)
The XLogP value of -1.05 indicates that Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) has 1 hydrogen bond donor(s) and 2 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 Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)?
The CAS number of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) is 22964-01-8.
What is the molecular formula of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)?
The molecular formula of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) is C12H16ClNS.
What is the molecular weight of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)?
The molecular weight of Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) is 241.07 g/mol.
Where can I buy Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)?
You can request a quote for Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.