![N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide structure](/static/products/2019/201990-48-9.webp)
N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide
TL;DR: N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide (CAS 201990-48-9) 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.
N-(1,3-benzodioxol-5-yl)ethanethioamide
Also Known As: N-(BENZO[D][1,3]DIOXOL-5-YL)ETHANETHIOAMIDE, N-(2H-1,3-benzodioxol-5-yl)ethanethioamide, N-(1,3-benzodioxol-5-yl)ethanethioamide, N-BENZO(1,3)DIOXOL-5-YL-THIOACETAMIDE, AH-034/11963361
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 201990-48-9 |
|---|---|
| SMILES | CC(=S)NC1=CC2=C(C=C1)OCO2 |
| InChIKey | QDYVOGQWMWQVNU-UHFFFAOYSA-N |
Product Overview
N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide (CAS 201990-48-9), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)ethanethioamide.
Chemical Property Profile of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide
Property Insights of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide. Following Lipinski's Rule of Five, N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide 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-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide?
The CAS number of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide is 201990-48-9.
What is the molecular formula of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide?
The molecular formula of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide is C9H9NO2S.
What is the molecular weight of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide?
The molecular weight of N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide is 195.04 g/mol.
Where can I buy N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide?
You can request a quote for N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Benzo[D][1,3]dioxol-5-YL)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.