O-methyl 4-chlorobenzoylthiocarbamate
TL;DR: O-methyl 4-chlorobenzoylthiocarbamate (CAS 28863-50-5) is a chemical compound with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-(4-chlorobenzoyl)carbamothioate
Also Known As: O-methyl 4-chlorobenzoylthiocarbamate, O-methyl N-(4-chlorobenzoyl)carbamothioate, AE-484/32883035
| Molecular Formula | C9H8ClNO2S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 2.0011 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.99643 |
| Heavy Atoms | 14 |
| Complexity | 350.3345 |
Chemical Identifiers
| CAS Number | 28863-50-5 |
|---|---|
| SMILES | COC(=S)NC(=O)C1=CC=C(C=C1)Cl |
Product Overview
O-methyl 4-chlorobenzoylthiocarbamate (CAS 28863-50-5), with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol. IUPAC: O-methyl N-(4-chlorobenzoyl)carbamothioate.
Chemical Property Profile of O-methyl 4-chlorobenzoylthiocarbamate
Property Insights of O-methyl 4-chlorobenzoylthiocarbamate
The XLogP value of 2.0011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl 4-chlorobenzoylthiocarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, O-methyl 4-chlorobenzoylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl 4-chlorobenzoylthiocarbamate 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 O-methyl 4-chlorobenzoylthiocarbamate?
The CAS number of O-methyl 4-chlorobenzoylthiocarbamate is 28863-50-5.
What is the molecular formula of O-methyl 4-chlorobenzoylthiocarbamate?
The molecular formula of O-methyl 4-chlorobenzoylthiocarbamate is C9H8ClNO2S.
What is the molecular weight of O-methyl 4-chlorobenzoylthiocarbamate?
The molecular weight of O-methyl 4-chlorobenzoylthiocarbamate is 229.00 g/mol.
Where can I buy O-methyl 4-chlorobenzoylthiocarbamate?
You can request a quote for O-methyl 4-chlorobenzoylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl 4-chlorobenzoylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl 4-chlorobenzoylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.