N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea
TL;DR: N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea (CAS 101590-39-0) is a chemical compound with molecular formula C12H19N3S and molecular weight 237.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(diethylamino)phenyl]-3-methylthiourea
Also Known As: N-(4-diethylamino-phenyl)-N'-methyl-thiourea, 1-[4-(diethylamino)phenyl]-3-methylthiourea, N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea
Technical Specifications
| Molecular Formula | C12H19N3S |
| Molecular Weight | 237.12997 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.12997 Da |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)NC(=S)NC |
| InChIKey | KYGKRMQZRXGIPW-UHFFFAOYSA-N |
Chemical Property Profile of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea
Property Insights of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea. With a topological polar surface area (TPSA) of 59.4 Ų, N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea 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
What is the CAS number of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea?
The CAS number of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea is 101590-39-0.
What is the molecular formula of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea?
The molecular formula of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea is C12H19N3S.
What is the molecular weight of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea?
The molecular weight of N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea is 237.12997 g/mol.
Where can I buy N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea?
You can request a quote for N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea?
Yes, CoreyChem provides custom synthesis services for N-methyl-N'-(4-(N'',N''-diethylamino)phenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.