benzamido-methanethioic acid S-methyl ester
TL;DR: benzamido-methanethioic acid S-methyl ester (CAS 14032-35-0) 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.
S-methyl N-benzoylcarbamothioate
Also Known As: s-methyl benzoylcarbamothioate, S-methyl benzoylthiocarbamate, N-methylsulfanylcarbonylbenzamide, S-methyl N-benzoylcarbamothioate, benzamido-methanethioic acid S-methyl ester
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 14032-35-0 |
|---|---|
| SMILES | CSC(=O)NC(=O)C1=CC=CC=C1 |
| InChIKey | GBXSGKMMVVHJQU-UHFFFAOYSA-N |
Product Overview
benzamido-methanethioic acid S-methyl ester (CAS 14032-35-0), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: S-methyl N-benzoylcarbamothioate.
Chemical Property Profile of benzamido-methanethioic acid S-methyl ester
Property Insights of benzamido-methanethioic acid S-methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzamido-methanethioic acid S-methyl ester. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for benzamido-methanethioic acid S-methyl ester. Following Lipinski's Rule of Five, benzamido-methanethioic acid S-methyl ester 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 benzamido-methanethioic acid S-methyl ester?
The CAS number of benzamido-methanethioic acid S-methyl ester is 14032-35-0.
What is the molecular formula of benzamido-methanethioic acid S-methyl ester?
The molecular formula of benzamido-methanethioic acid S-methyl ester is C9H9NO2S.
What is the molecular weight of benzamido-methanethioic acid S-methyl ester?
The molecular weight of benzamido-methanethioic acid S-methyl ester is 195.04 g/mol.
Where can I buy benzamido-methanethioic acid S-methyl ester?
You can request a quote for benzamido-methanethioic acid S-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzamido-methanethioic acid S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for benzamido-methanethioic acid S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.