2,3-Dihydro-1,4-benzodioxine-6-carbothioamide
TL;DR: 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide (CAS 33751-70-1) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-benzodioxine-6-carbothioamide
Also Known As: 2,3-dihydro-1,4-benzodioxine-6-carbothioamide, 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbothioamide, 2,3-Dihydro-benzo[1,4]dioxine-6-carbothioic acid amide, 6-Bromo-8-methyl[1,2,4]triazolo[1,5-a]pyridine, 1,4-Benzodioxin-6-carbothioamide, 2,3-dihydro- (9CI)
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.092 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 351.468 |
Chemical Identifiers
| CAS Number | 33751-70-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=S)N |
Product Overview
2,3-Dihydro-1,4-benzodioxine-6-carbothioamide (CAS 33751-70-1), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxine-6-carbothioamide.
Chemical Property Profile of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide
Property Insights of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide
The XLogP value of 1.092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide. With a topological polar surface area (TPSA) of 44.48 Ų, 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,4-benzodioxine-6-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 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide?
The CAS number of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide is 33751-70-1.
What is the molecular formula of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide?
The molecular formula of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide is C9H9NO2S.
What is the molecular weight of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide?
The molecular weight of 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide is 195.04 g/mol.
Where can I buy 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide?
You can request a quote for 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,4-benzodioxine-6-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.