Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate
TL;DR: Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate (CAS 58417-81-5) is a chemical compound with molecular formula C8H15NOS2 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-methyl-4-oxopentan-2-yl)carbamodithioate
Also Known As: methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate, Methyl 1,1-dimethyl-3-oxobutyldithiocarbamate #, methyl N-(2-methyl-4-oxopentyl-1)dithiocarbamate, methyl N-(2-methyl-4-oxopentan-2-yl)carbamodithioate, Dithiocarbamate, S-methyl-,N-(2-methyl-4-oxo-2-pentyl)-
| Molecular Formula | C8H15NOS2 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 1.9816 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.05951 |
| Heavy Atoms | 12 |
| Complexity | 189.49689 |
Chemical Identifiers
| CAS Number | 58417-81-5 |
|---|---|
| SMILES | CC(=O)CC(C)(C)NC(=S)SC |
Product Overview
Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate (CAS 58417-81-5), with molecular formula C8H15NOS2 and molecular weight 205.06 g/mol. IUPAC: methyl N-(2-methyl-4-oxopentan-2-yl)carbamodithioate.
Chemical Property Profile of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate
Property Insights of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate
The XLogP value of 1.9816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate. With a topological polar surface area (TPSA) of 29.1 Ų, Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate has 1 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 Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate?
The CAS number of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate is 58417-81-5.
What is the molecular formula of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate?
The molecular formula of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate is C8H15NOS2.
What is the molecular weight of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate?
The molecular weight of Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate is 205.06 g/mol.
Where can I buy Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate?
You can request a quote for Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-methyl-4-oxopentan-2-yl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.