O-Isobutyl-N-methylthionocarbamate
TL;DR: O-Isobutyl-N-methylthionocarbamate (CAS 14128-37-1) is a chemical compound with molecular formula C6H13NOS and molecular weight 147.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-(2-methylpropyl) N-methylcarbamothioate
Also Known As: O-Isobutyl methylthiocarbamate, O-Isobutyl-N-methylthionocarbamate, IBNMTCM, O-(2-Methylpropyl) methylcarbamothioate, O-(2-methylpropyl) N-methylcarbamothioate
Technical Specifications
| Molecular Formula | C6H13NOS |
| Molecular Weight | 147.0718 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.0718 Da |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
| SMILES | CC(C)COC(=S)NC |
| InChIKey | PVOYFKUVGNEGHT-UHFFFAOYSA-N |
Chemical Property Profile of O-Isobutyl-N-methylthionocarbamate
Property Insights of O-Isobutyl-N-methylthionocarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Isobutyl-N-methylthionocarbamate. With a topological polar surface area (TPSA) of 53.4 Ų, O-Isobutyl-N-methylthionocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Isobutyl-N-methylthionocarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O-Isobutyl-N-methylthionocarbamate?
The CAS number of O-Isobutyl-N-methylthionocarbamate is 14128-37-1.
What is the molecular formula of O-Isobutyl-N-methylthionocarbamate?
The molecular formula of O-Isobutyl-N-methylthionocarbamate is C6H13NOS.
What is the molecular weight of O-Isobutyl-N-methylthionocarbamate?
The molecular weight of O-Isobutyl-N-methylthionocarbamate is 147.0718 g/mol.
Where can I buy O-Isobutyl-N-methylthionocarbamate?
You can request a quote for O-Isobutyl-N-methylthionocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Isobutyl-N-methylthionocarbamate?
Yes, CoreyChem provides custom synthesis services for O-Isobutyl-N-methylthionocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.