N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide (CAS 830344-91-7) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide
Also Known As: N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide, N-(1,1-dioxothiolan-3-yl)(3-methylphenyl)carboxamide, F1720-0006, N-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methylbenzamide
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 0.91192 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 536.43665 |
Chemical Identifiers
| CAS Number | 830344-91-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2CCS(=O)(=O)C2 |
Product Overview
N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide (CAS 830344-91-7), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide
The XLogP value of 0.91192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide 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-(1,1-dioxothiolan-3-yl)-3-methylbenzamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide is 830344-91-7.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide is C12H15NO3S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide is 253.08 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide 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)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.