Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) (CAS 97874-27-6) is a chemical compound with molecular formula C11H14ClNOS and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: N,N-Dimethylaminomethyl-3 thiophtalide chlorhydrate [French], N,N-Dimethylaminomethyl-3 thiophtalide chlorhydrate, 3-((Dimethylamino)methyl)benzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride, 3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one,hydrochloride
| Molecular Formula | C11H14ClNOS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.5981 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.04846 |
| Heavy Atoms | 15 |
| Complexity | 367.36047 |
Chemical Identifiers
| CAS Number | 97874-27-6 |
|---|---|
| SMILES | CN(C)CC1C2=CC=CC=C2C(=O)S1.Cl |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) (CAS 97874-27-6), with molecular formula C11H14ClNOS and molecular weight 243.05 g/mol. IUPAC: 3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)
The XLogP value of 2.5981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 20.31 Ų, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) has 0 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 Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) is 97874-27-6.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) is C11H14ClNOS.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) is 243.05 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, 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(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.