N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
TL;DR: N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide (CAS 339013-33-1) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
Also Known As: BAS 00334024, N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide, BIM-0019284.P001, N-methyl-2,3-dihydro-1,4-benzodioxine-2-carbothioamide, AJ-292/40019022
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.3732 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 353.73016 |
Chemical Identifiers
| CAS Number | 339013-33-1 |
|---|---|
| SMILES | CNC(=S)C1COC2=CC=CC=C2O1 |
Product Overview
N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide (CAS 339013-33-1), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide.
Chemical Property Profile of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
Property Insights of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide
The XLogP value of 1.3732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide. With a topological polar surface area (TPSA) of 30.49 Ų, N-methyl-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-methyl-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-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
The CAS number of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide is 339013-33-1.
What is the molecular formula of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
The molecular formula of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide is C10H11NO2S.
What is the molecular weight of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
The molecular weight of N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide is 209.05 g/mol.
Where can I buy N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
You can request a quote for N-methyl-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-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2,3-dihydro-1,4-benzodioxine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.