Butanethioamide, N-(4-methylphenyl)-3-oxo-
TL;DR: Butanethioamide, N-(4-methylphenyl)-3-oxo- (CAS 60728-85-0) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-3-oxobutanethioamide
Also Known As: N-(4-methylphenyl)-3-oxobutanethioamide, Butanethioamide, N-(4-methylphenyl)-3-oxo-, N-(4-methylphenyl)-3-oxo-butanethioamide
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.71342 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 342.8101 |
Chemical Identifiers
| CAS Number | 60728-85-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)CC(=O)C |
Product Overview
Butanethioamide, N-(4-methylphenyl)-3-oxo- (CAS 60728-85-0), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: N-(4-methylphenyl)-3-oxobutanethioamide.
Chemical Property Profile of Butanethioamide, N-(4-methylphenyl)-3-oxo-
Property Insights of Butanethioamide, N-(4-methylphenyl)-3-oxo-
The XLogP value of 2.71342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioamide, N-(4-methylphenyl)-3-oxo-. With a topological polar surface area (TPSA) of 29.1 Ų, Butanethioamide, N-(4-methylphenyl)-3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioamide, N-(4-methylphenyl)-3-oxo- 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 Butanethioamide, N-(4-methylphenyl)-3-oxo-?
The CAS number of Butanethioamide, N-(4-methylphenyl)-3-oxo- is 60728-85-0.
What is the molecular formula of Butanethioamide, N-(4-methylphenyl)-3-oxo-?
The molecular formula of Butanethioamide, N-(4-methylphenyl)-3-oxo- is C11H13NOS.
What is the molecular weight of Butanethioamide, N-(4-methylphenyl)-3-oxo-?
The molecular weight of Butanethioamide, N-(4-methylphenyl)-3-oxo- is 207.07 g/mol.
Where can I buy Butanethioamide, N-(4-methylphenyl)-3-oxo-?
You can request a quote for Butanethioamide, N-(4-methylphenyl)-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioamide, N-(4-methylphenyl)-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Butanethioamide, N-(4-methylphenyl)-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.