S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate
TL;DR: S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate (CAS 331247-18-8) is a chemical compound with molecular formula C8H15NO2S and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-(2-methyl-4-oxopentan-2-yl)carbamothioate
Also Known As: BAS 00346367, S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate, S-methyl N-(1,1-dimethyl-3-oxobutyl)thiocarbamate, S-methyl N-(2-methyl-4-oxopentan-2-yl)carbamothioate, (1,1-Dimethyl-3-oxo-butyl)-thiocarbamic acid S-methyl ester
| Molecular Formula | C8H15NO2S |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.8167 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.08235 |
| Heavy Atoms | 12 |
| Complexity | 189.49689 |
Chemical Identifiers
| CAS Number | 331247-18-8 |
|---|---|
| SMILES | CC(=O)CC(C)(C)NC(=O)SC |
Product Overview
S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate (CAS 331247-18-8), with molecular formula C8H15NO2S and molecular weight 189.08 g/mol. IUPAC: S-methyl N-(2-methyl-4-oxopentan-2-yl)carbamothioate.
Chemical Property Profile of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate
Property Insights of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate
The XLogP value of 1.8167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate. With a topological polar surface area (TPSA) of 46.17 Ų, S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate 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 S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate?
The CAS number of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate is 331247-18-8.
What is the molecular formula of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate?
The molecular formula of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate is C8H15NO2S.
What is the molecular weight of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate?
The molecular weight of S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate is 189.08 g/mol.
Where can I buy S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate?
You can request a quote for S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl (2-methyl-4-oxopentan-2-yl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.