Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester
TL;DR: Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester (CAS 20753-31-5) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl N-methylcarbamothioate
Also Known As: O-propan-2-yl N-methylcarbamothioate, O-Isopropyl-N-methylthiocarbamate, Carbamothioic acid, methyl-, O-(1-methylethyl) ester, isopropyl-N-methylthiocarbamate, O-isopropyl methylcarbamothioate
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 0.9157 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 82.497856 |
Chemical Identifiers
| CAS Number | 20753-31-5 |
|---|---|
| SMILES | CC(C)OC(=S)NC |
Product Overview
Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester (CAS 20753-31-5), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: O-propan-2-yl N-methylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester
Property Insights of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester
The XLogP value of 0.9157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester 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
Frequently Asked Questions
What is the CAS number of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester?
The CAS number of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester is 20753-31-5.
What is the molecular formula of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester?
The molecular formula of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester is C5H11NOS.
What is the molecular weight of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester?
The molecular weight of Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester is 133.06 g/mol.
Where can I buy Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester?
You can request a quote for Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, N-methyl-, O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.