Methiobencarb
TL;DR: Methiobencarb (CAS 18357-78-3) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate
Also Known As: Methiobencarb, Benzcarbothiol, Methiobencarb [ISO], S-(4-Methoxybenzyl) diethylthiocarbamate, S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 18357-78-3 |
|---|---|
| SMILES | CCN(CC)C(=O)SCC1=CC=C(C=C1)OC |
| InChIKey | BUHNESFUCHPWED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methiobencarb (CAS 18357-78-3), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate.
Chemical Property Profile of Methiobencarb
Property Insights of Methiobencarb
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methiobencarb. With a topological polar surface area (TPSA) of 54.8 Ų, Methiobencarb exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methiobencarb has 0 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 Methiobencarb?
The CAS number of Methiobencarb is 18357-78-3.
What is the molecular formula of Methiobencarb?
The molecular formula of Methiobencarb is C13H19NO2S.
What is the molecular weight of Methiobencarb?
The molecular weight of Methiobencarb is 253.11 g/mol.
Where can I buy Methiobencarb?
You can request a quote for Methiobencarb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methiobencarb?
Yes, KEHONG BIO provides custom synthesis services for Methiobencarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.