![N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide structure](/static/products/5367/536722-25-5.webp)
N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide
TL;DR: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide (CAS 536722-25-5) is a chemical compound with molecular formula C13H16N2O4S2 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide
Also Known As: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide, N-[(1,1-dioxothiolan-3-yl)thiocarbamoyl]-4-methoxy-benzamide, N-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamothioyl]-4-methoxybenzamide
| Molecular Formula | C13H16N2O4S2 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 0.4866 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.05515 |
| Heavy Atoms | 21 |
| Complexity | 640.64 |
Chemical Identifiers
| CAS Number | 536722-25-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2CCS(=O)(=O)C2 |
Product Overview
N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide (CAS 536722-25-5), with molecular formula C13H16N2O4S2 and molecular weight 328.06 g/mol. IUPAC: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide
Property Insights of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide
The XLogP value of 0.4866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide has 2 hydrogen bond donor(s) and 5 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-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide?
The CAS number of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide is 536722-25-5.
What is the molecular formula of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide?
The molecular formula of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide is C13H16N2O4S2.
What is the molecular weight of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide?
The molecular weight of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide is 328.06 g/mol.
Where can I buy N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide?
You can request a quote for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.