3-methyl-N-(propan-2-ylcarbamothioyl)benzamide
TL;DR: 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide (CAS 791791-50-9) 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-(propan-2-ylcarbamothioyl)benzamide
Also Known As: 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide, N-isopropyl-N'-(3-methylbenzoyl)thiourea, N-[(isopropylamino)carbonothioyl]-3-methylbenzamide, AN-329/42581100
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.00772 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 401.76016 |
Chemical Identifiers
| CAS Number | 791791-50-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC(C)C |
Product Overview
3-methyl-N-(propan-2-ylcarbamothioyl)benzamide (CAS 791791-50-9), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide
Property Insights of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide
The XLogP value of 2.00772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 41.13 Ų, 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide 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-(propan-2-ylcarbamothioyl)benzamide?
The CAS number of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide is 791791-50-9.
What is the molecular formula of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular formula of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide is C12H16N2OS.
What is the molecular weight of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
The molecular weight of 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide is 236.10 g/mol.
Where can I buy 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide?
You can request a quote for 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide 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-(propan-2-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(propan-2-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.