1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride
TL;DR: 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride (CAS 97874-58-3) 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-benzofuran-1-thione;hydrochloride
Also Known As: 3-((Dimethylamino)methyl)-1(3H)-isobenzofuranthione hydrochloride, 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride, 3-(dimethylaminomethyl)-3H-2-benzofuran-1-thione hydrochloride, 3-[(dimethylamino)methyl]-3H-2-benzofuran-1-thione,hydrochloride, 3-[(Dimethylamino)methyl]-2-benzofuran-1(3H)-thione--hydrogen chloride (1/1)
| Molecular Formula | C11H14ClNOS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.4168 |
| Topological Polar Surface Area | 12.47 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 | 97874-58-3 |
|---|---|
| SMILES | CN(C)CC1C2=CC=CC=C2C(=S)O1.Cl |
Product Overview
1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride (CAS 97874-58-3), with molecular formula C11H14ClNOS and molecular weight 243.05 g/mol. IUPAC: 3-[(dimethylamino)methyl]-3H-2-benzofuran-1-thione;hydrochloride.
Chemical Property Profile of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride
Property Insights of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride
The XLogP value of 2.4168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride. With a topological polar surface area (TPSA) of 12.47 Ų, 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride 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 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride?
The CAS number of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride is 97874-58-3.
What is the molecular formula of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride?
The molecular formula of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride is C11H14ClNOS.
What is the molecular weight of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride?
The molecular weight of 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride is 243.05 g/mol.
Where can I buy 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride?
You can request a quote for 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranthione, 3-((dimethylamino)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.