2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate
TL;DR: 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate (CAS 1444-06-0) is a chemical compound with molecular formula C12H24N2O3S and molecular weight 276.15076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(carbamothioyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
Also Known As: 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate, 1,3-Propanediol, 2-methyl-2-propyl-, isopropylcarbamate thiocarbamate (ester), [2-(carbamothioyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate, 2-[(carbamothioyloxy)methyl]-2-methylpentyl N-(propan-2-yl)carbamate, 3-(Thiocarbamoyloxy)-2-methyl-2-propyl-1-propanol N-isopropylcarbamate
Technical Specifications
| Molecular Formula | C12H24N2O3S |
| Molecular Weight | 276.15076 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 276.15076 Da |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| SMILES | CCCC(C)(COC(=S)N)COC(=O)NC(C)C |
| InChIKey | QWNSMEWKAXGMCM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate
Property Insights of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate. Following Lipinski's Rule of Five, 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate?
The CAS number of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate is 1444-06-0.
What is the molecular formula of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate?
The molecular formula of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate is C12H24N2O3S.
What is the molecular weight of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate?
The molecular weight of 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate is 276.15076 g/mol.
Where can I buy 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate?
You can request a quote for 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.