![[(2-Methylpropyl)amino][benzylamino]methane-1-thione structure](/static/products/577/57723-05-4.png)
[(2-Methylpropyl)amino][benzylamino]methane-1-thione
TL;DR: [(2-Methylpropyl)amino][benzylamino]methane-1-thione (CAS 57723-05-4) is a chemical compound with molecular formula C12H18N2S and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(2-methylpropyl)thiourea
Also Known As: N-benzyl-N'-isobutyl-thiourea, 1-benzyl-3-(2-methylpropyl)thiourea, 3-benzyl-1-(2-methylpropyl)thiourea, [(2-methylpropyl)amino][benzylamino]methane-1-thione
| Molecular Formula | C12H18N2S |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 2.3067 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.11906 |
| Heavy Atoms | 15 |
| Complexity | 295.75024 |
Chemical Identifiers
| CAS Number | 57723-05-4 |
|---|---|
| SMILES | CC(C)CNC(=S)NCC1=CC=CC=C1 |
Product Overview
[(2-Methylpropyl)amino][benzylamino]methane-1-thione (CAS 57723-05-4), with molecular formula C12H18N2S and molecular weight 222.12 g/mol. IUPAC: 1-benzyl-3-(2-methylpropyl)thiourea.
Chemical Property Profile of [(2-Methylpropyl)amino][benzylamino]methane-1-thione
Property Insights of [(2-Methylpropyl)amino][benzylamino]methane-1-thione
The XLogP value of 2.3067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Methylpropyl)amino][benzylamino]methane-1-thione. With a topological polar surface area (TPSA) of 24.06 Ų, [(2-Methylpropyl)amino][benzylamino]methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Methylpropyl)amino][benzylamino]methane-1-thione has 2 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 [(2-Methylpropyl)amino][benzylamino]methane-1-thione?
The CAS number of [(2-Methylpropyl)amino][benzylamino]methane-1-thione is 57723-05-4.
What is the molecular formula of [(2-Methylpropyl)amino][benzylamino]methane-1-thione?
The molecular formula of [(2-Methylpropyl)amino][benzylamino]methane-1-thione is C12H18N2S.
What is the molecular weight of [(2-Methylpropyl)amino][benzylamino]methane-1-thione?
The molecular weight of [(2-Methylpropyl)amino][benzylamino]methane-1-thione is 222.12 g/mol.
Where can I buy [(2-Methylpropyl)amino][benzylamino]methane-1-thione?
You can request a quote for [(2-Methylpropyl)amino][benzylamino]methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Methylpropyl)amino][benzylamino]methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for [(2-Methylpropyl)amino][benzylamino]methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.