Butanethioamide, 3-methyl-
TL;DR: Butanethioamide, 3-methyl- (CAS 16536-95-1) is a chemical compound with molecular formula C5H11NS and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutanethioamide
Also Known As: 3-methylbutanethioamide, Isovalerothioamide, Butanethioamide, 3-methyl-, Butyramide, 3-methylthio-, 3-methyl-thiobutyramide
| Molecular Formula | C5H11NS |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.3186 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.06122 |
| Heavy Atoms | 7 |
| Complexity | 68.48041 |
Chemical Identifiers
| CAS Number | 16536-95-1 |
|---|---|
| SMILES | CC(C)CC(=S)N |
Product Overview
Butanethioamide, 3-methyl- (CAS 16536-95-1), with molecular formula C5H11NS and molecular weight 117.06 g/mol. IUPAC: 3-methylbutanethioamide.
Chemical Property Profile of Butanethioamide, 3-methyl-
Property Insights of Butanethioamide, 3-methyl-
The XLogP value of 1.3186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioamide, 3-methyl-. With a topological polar surface area (TPSA) of 26.02 Ų, Butanethioamide, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioamide, 3-methyl- has 1 hydrogen bond donor(s) and 1 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, 3-methyl-?
The CAS number of Butanethioamide, 3-methyl- is 16536-95-1.
What is the molecular formula of Butanethioamide, 3-methyl-?
The molecular formula of Butanethioamide, 3-methyl- is C5H11NS.
What is the molecular weight of Butanethioamide, 3-methyl-?
The molecular weight of Butanethioamide, 3-methyl- is 117.06 g/mol.
Where can I buy Butanethioamide, 3-methyl-?
You can request a quote for Butanethioamide, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioamide, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butanethioamide, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.