Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester
TL;DR: Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester (CAS 39076-39-6) is a chemical compound with molecular formula C6H13NOS and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl N-methylcarbamothioate
Also Known As: Butan-2-yl methylaminomethanethioate, O-2-Butyl N-methylcarbamothioate, O-butan-2-yl N-methylcarbamothioate, Butan-2-ylmethylaminomethanethioate, O-sec-butyl N-methylcarbamothioate
| Molecular Formula | C6H13NOS |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.3058 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.0718 |
| Heavy Atoms | 9 |
| Complexity | 95.05865 |
Chemical Identifiers
| CAS Number | 39076-39-6 |
|---|---|
| SMILES | CCC(C)OC(=S)NC |
Product Overview
Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester (CAS 39076-39-6), with molecular formula C6H13NOS and molecular weight 147.07 g/mol. IUPAC: O-butan-2-yl N-methylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester
Property Insights of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester
The XLogP value of 1.3058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, N-methyl-, O-(1-methylpropyl) 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-methylpropyl) ester?
The CAS number of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester is 39076-39-6.
What is the molecular formula of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester?
The molecular formula of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester is C6H13NOS.
What is the molecular weight of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester?
The molecular weight of Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester is 147.07 g/mol.
Where can I buy Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester?
You can request a quote for Carbamothioic acid, N-methyl-, O-(1-methylpropyl) 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-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, N-methyl-, O-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.