![N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide structure](/static/products/4740/474004-01-8.webp)
N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
TL;DR: N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide (CAS 474004-01-8) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
Also Known As: UPCMLD0ENAT5880710:001, N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide, N-[(2-oxotetrahydrothiophen-3-yl)carbamothioyl]benzamide, N-{[(2-oxotetrahydro-3-thienyl)amino]carbonothioyl}benzamide
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 1.323 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 476.2256 |
Chemical Identifiers
| CAS Number | 474004-01-8 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide (CAS 474004-01-8), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
Property Insights of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
The XLogP value of 1.323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 4 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-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
The CAS number of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide is 474004-01-8.
What is the molecular formula of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
The molecular formula of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide is C12H12N2O2S2.
What is the molecular weight of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
The molecular weight of N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide is 280.03 g/mol.
Where can I buy N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
You can request a quote for N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.