![N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide structure](/static/products/5367/536722-11-9.webp)
N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide
TL;DR: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide (CAS 536722-11-9) is a chemical compound with molecular formula C12H13FN2O3S2 and molecular weight 316.04 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]-2-fluorobenzamide
Also Known As: UPCMLD0ENAT5874189:001, N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide, N-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamothioyl]-2-fluorobenzamide
| Molecular Formula | C12H13FN2O3S2 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 0.6171 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.03516 |
| Heavy Atoms | 20 |
| Complexity | 645.8574 |
Chemical Identifiers
| CAS Number | 536722-11-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=CC=C2F |
Product Overview
N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide (CAS 536722-11-9), with molecular formula C12H13FN2O3S2 and molecular weight 316.04 g/mol. IUPAC: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide
Property Insights of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide
The XLogP value of 0.6171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide 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-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide?
The CAS number of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide is 536722-11-9.
What is the molecular formula of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide?
The molecular formula of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide is C12H13FN2O3S2.
What is the molecular weight of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide?
The molecular weight of N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide is 316.04 g/mol.
Where can I buy N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide?
You can request a quote for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide 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]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.