3-methyl-N-(phenylcarbamothioyl)butanamide
TL;DR: 3-methyl-N-(phenylcarbamothioyl)butanamide (CAS 14185-53-6) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(phenylcarbamothioyl)butanamide
Also Known As: 3-methyl-N-(phenylcarbamothioyl)butanamide, N-isovaleryl-N'-phenyl-thiourea, N-(3-Methylbutyryl)-N'-phenylthiourea, AB00111046-01
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.5457 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 362.54132 |
Chemical Identifiers
| CAS Number | 14185-53-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=CC=C1 |
Product Overview
3-methyl-N-(phenylcarbamothioyl)butanamide (CAS 14185-53-6), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 3-methyl-N-(phenylcarbamothioyl)butanamide.
Chemical Property Profile of 3-methyl-N-(phenylcarbamothioyl)butanamide
Property Insights of 3-methyl-N-(phenylcarbamothioyl)butanamide
The XLogP value of 2.5457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(phenylcarbamothioyl)butanamide. With a topological polar surface area (TPSA) of 41.13 Ų, 3-methyl-N-(phenylcarbamothioyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(phenylcarbamothioyl)butanamide has 2 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 3-methyl-N-(phenylcarbamothioyl)butanamide?
The CAS number of 3-methyl-N-(phenylcarbamothioyl)butanamide is 14185-53-6.
What is the molecular formula of 3-methyl-N-(phenylcarbamothioyl)butanamide?
The molecular formula of 3-methyl-N-(phenylcarbamothioyl)butanamide is C12H16N2OS.
What is the molecular weight of 3-methyl-N-(phenylcarbamothioyl)butanamide?
The molecular weight of 3-methyl-N-(phenylcarbamothioyl)butanamide is 236.10 g/mol.
Where can I buy 3-methyl-N-(phenylcarbamothioyl)butanamide?
You can request a quote for 3-methyl-N-(phenylcarbamothioyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(phenylcarbamothioyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(phenylcarbamothioyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.