N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine
TL;DR: N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine (CAS 327095-56-7) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine
Also Known As: N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine, (1,1-dioxido-4,5-dihydro-3-thienyl)(3-methylphenyl)amine, 3-[(3-methylphenyl)amino]-4,5-dihydrothiophene-1,1-dione, N-(3-methylphenyl)-4,5-dihydrothiophen-3-amine 1,1-dioxide, 4-[(3-methylphenyl)amino]-2,3-dihydro-1??-thiophene-1,1-dione
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.06682 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 503.07413 |
Chemical Identifiers
| CAS Number | 327095-56-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=CS(=O)(=O)CC2 |
Product Overview
N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine (CAS 327095-56-7), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine.
Chemical Property Profile of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine
Property Insights of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine
The XLogP value of 2.06682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine. With a topological polar surface area (TPSA) of 46.17 Ų, N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine 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 N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine?
The CAS number of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine is 327095-56-7.
What is the molecular formula of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine?
The molecular formula of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine is C11H13NO2S.
What is the molecular weight of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine?
The molecular weight of N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine is 223.07 g/mol.
Where can I buy N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine?
You can request a quote for N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.