N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
TL;DR: N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide (CAS 327167-68-0) 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-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
Also Known As: BAS 00335363, N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide, N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carbothioamide, N-ethyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carbothioamide, 2,3-Dihydro-benzo[1,4]dioxine-2-carbothioic acid ethylamide
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.7633 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 367.36047 |
Chemical Identifiers
| CAS Number | 327167-68-0 |
|---|---|
| SMILES | CCNC(=S)C1COC2=CC=CC=C2O1 |
Product Overview
N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide (CAS 327167-68-0), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide.
Chemical Property Profile of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
Property Insights of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
The XLogP value of 1.7633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide. With a topological polar surface area (TPSA) of 30.49 Ų, N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide 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-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
The CAS number of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide is 327167-68-0.
What is the molecular formula of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
The molecular formula of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide is C11H13NO2S.
What is the molecular weight of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
The molecular weight of N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide is 223.07 g/mol.
Where can I buy N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
You can request a quote for N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.