![3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide structure](/static/products/3308/330826-80-7.webp)
3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide
TL;DR: 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide (CAS 330826-80-7) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide
Also Known As: 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide, N-(3-methylbutanoyl)-N'-(2-methylphenyl)thiourea, AB00111685-01, N-(3-Methylbutanoyl)-N/'-(2-methylphenyl)thiourea
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.85412 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 415.6354 |
Chemical Identifiers
| CAS Number | 330826-80-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)NC(=O)CC(C)C |
Product Overview
3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide (CAS 330826-80-7), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide
Property Insights of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide
The XLogP value of 2.85412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide. With a topological polar surface area (TPSA) of 41.13 Ų, 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-[(2-methylphenyl)carbamothioyl]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-[(2-methylphenyl)carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide is 330826-80-7.
What is the molecular formula of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide is C13H18N2OS.
What is the molecular weight of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide is 250.11 g/mol.
Where can I buy 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[(2-methylphenyl)carbamothioyl]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-[(2-methylphenyl)carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.