N-(2-methyl-4-oxopentan-2-yl)propanethioamide
TL;DR: N-(2-methyl-4-oxopentan-2-yl)propanethioamide (CAS 180907-92-0) is a chemical compound with molecular formula C9H17NOS and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-4-oxopentan-2-yl)propanethioamide
Also Known As: N-(2-methyl-4-oxopentan-2-yl)propanethioamide, N-(1,1-Dimethyl-3-oxobutyl)thiopropionamide
| Molecular Formula | C9H17NOS |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.0711 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.10309 |
| Heavy Atoms | 12 |
| Complexity | 186.96756 |
Chemical Identifiers
| CAS Number | 180907-92-0 |
|---|---|
| SMILES | CCC(=S)NC(C)(C)CC(=O)C |
Product Overview
N-(2-methyl-4-oxopentan-2-yl)propanethioamide (CAS 180907-92-0), with molecular formula C9H17NOS and molecular weight 187.10 g/mol. IUPAC: N-(2-methyl-4-oxopentan-2-yl)propanethioamide.
Chemical Property Profile of N-(2-methyl-4-oxopentan-2-yl)propanethioamide
Property Insights of N-(2-methyl-4-oxopentan-2-yl)propanethioamide
The XLogP value of 2.0711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methyl-4-oxopentan-2-yl)propanethioamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-methyl-4-oxopentan-2-yl)propanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methyl-4-oxopentan-2-yl)propanethioamide 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 N-(2-methyl-4-oxopentan-2-yl)propanethioamide?
The CAS number of N-(2-methyl-4-oxopentan-2-yl)propanethioamide is 180907-92-0.
What is the molecular formula of N-(2-methyl-4-oxopentan-2-yl)propanethioamide?
The molecular formula of N-(2-methyl-4-oxopentan-2-yl)propanethioamide is C9H17NOS.
What is the molecular weight of N-(2-methyl-4-oxopentan-2-yl)propanethioamide?
The molecular weight of N-(2-methyl-4-oxopentan-2-yl)propanethioamide is 187.10 g/mol.
Where can I buy N-(2-methyl-4-oxopentan-2-yl)propanethioamide?
You can request a quote for N-(2-methyl-4-oxopentan-2-yl)propanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-4-oxopentan-2-yl)propanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-4-oxopentan-2-yl)propanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.