![N-[(3-methylbutyl)carbamothioyl]benzamide structure](/static/products/6907/690706-75-3.webp)
N-[(3-methylbutyl)carbamothioyl]benzamide
TL;DR: N-[(3-methylbutyl)carbamothioyl]benzamide (CAS 690706-75-3) 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.
N-(3-methylbutylcarbamothioyl)benzamide
Also Known As: N-[(3-methylbutyl)carbamothioyl]benzamide, N-(3-methylbutylcarbamothioyl)benzamide, 1-BENZOYL-3-(3-METHYLBUTYL)THIOUREA
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.337 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 376.26566 |
Chemical Identifiers
| CAS Number | 690706-75-3 |
|---|---|
| SMILES | CC(C)CCNC(=S)NC(=O)C1=CC=CC=C1 |
Product Overview
N-[(3-methylbutyl)carbamothioyl]benzamide (CAS 690706-75-3), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: N-(3-methylbutylcarbamothioyl)benzamide.
Chemical Property Profile of N-[(3-methylbutyl)carbamothioyl]benzamide
Property Insights of N-[(3-methylbutyl)carbamothioyl]benzamide
The XLogP value of 2.337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-methylbutyl)carbamothioyl]benzamide. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(3-methylbutyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-methylbutyl)carbamothioyl]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 N-[(3-methylbutyl)carbamothioyl]benzamide?
The CAS number of N-[(3-methylbutyl)carbamothioyl]benzamide is 690706-75-3.
What is the molecular formula of N-[(3-methylbutyl)carbamothioyl]benzamide?
The molecular formula of N-[(3-methylbutyl)carbamothioyl]benzamide is C13H18N2OS.
What is the molecular weight of N-[(3-methylbutyl)carbamothioyl]benzamide?
The molecular weight of N-[(3-methylbutyl)carbamothioyl]benzamide is 250.11 g/mol.
Where can I buy N-[(3-methylbutyl)carbamothioyl]benzamide?
You can request a quote for N-[(3-methylbutyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-methylbutyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-methylbutyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.