Benzoylthio-O-methyl ester carbamic acid
TL;DR: Benzoylthio-O-methyl ester carbamic acid (CAS 3201-48-7) 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.
O-methyl N-benzoylcarbamothioate
Also Known As: Benzoylthio-O-methyl ester carbamic acid, N-Benzoylthiourethan, O-methyl N-benzoylcarbamothioate, N-(methoxymethanethioyl)benzamide, O-Methyl benzoylcarbamothioate
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.3477 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 310.65054 |
Chemical Identifiers
| CAS Number | 3201-48-7 |
|---|---|
| SMILES | COC(=S)NC(=O)C1=CC=CC=C1 |
Product Overview
Benzoylthio-O-methyl ester carbamic acid (CAS 3201-48-7), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: O-methyl N-benzoylcarbamothioate.
Chemical Property Profile of Benzoylthio-O-methyl ester carbamic acid
Property Insights of Benzoylthio-O-methyl ester carbamic acid
The XLogP value of 1.3477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylthio-O-methyl ester carbamic acid. With a topological polar surface area (TPSA) of 38.33 Ų, Benzoylthio-O-methyl ester carbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylthio-O-methyl ester carbamic acid 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 Benzoylthio-O-methyl ester carbamic acid?
The CAS number of Benzoylthio-O-methyl ester carbamic acid is 3201-48-7.
What is the molecular formula of Benzoylthio-O-methyl ester carbamic acid?
The molecular formula of Benzoylthio-O-methyl ester carbamic acid is C9H9NO2S.
What is the molecular weight of Benzoylthio-O-methyl ester carbamic acid?
The molecular weight of Benzoylthio-O-methyl ester carbamic acid is 195.04 g/mol.
Where can I buy Benzoylthio-O-methyl ester carbamic acid?
You can request a quote for Benzoylthio-O-methyl ester carbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylthio-O-methyl ester carbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzoylthio-O-methyl ester carbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.