N-(4-methylphenyl)pyrrolidine-1-carbothioamide
TL;DR: N-(4-methylphenyl)pyrrolidine-1-carbothioamide (CAS 152974-58-8) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methylphenyl)pyrrolidine-1-carbothioamide
Also Known As: N-(4-methylphenyl)pyrrolidine-1-carbothioamide, N,N-(Butane-1,4-diyl)-N'-(p-tolyl)thiourea, N-(4-methylphenyl)-1-pyrrolidinecarbothioamide, [(4-methylphenyl)amino]pyrrolidinylmethane-1-thione
Technical Specifications
| Molecular Formula | C12H16N2S |
| Molecular Weight | 220.10342 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.10342 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCCC2 |
| InChIKey | KCSNYJBZSAYVIN-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methylphenyl)pyrrolidine-1-carbothioamide
Property Insights of N-(4-methylphenyl)pyrrolidine-1-carbothioamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylphenyl)pyrrolidine-1-carbothioamide. With a topological polar surface area (TPSA) of 47.4 Ų, N-(4-methylphenyl)pyrrolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylphenyl)pyrrolidine-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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-(4-methylphenyl)pyrrolidine-1-carbothioamide?
The CAS number of N-(4-methylphenyl)pyrrolidine-1-carbothioamide is 152974-58-8.
What is the molecular formula of N-(4-methylphenyl)pyrrolidine-1-carbothioamide?
The molecular formula of N-(4-methylphenyl)pyrrolidine-1-carbothioamide is C12H16N2S.
What is the molecular weight of N-(4-methylphenyl)pyrrolidine-1-carbothioamide?
The molecular weight of N-(4-methylphenyl)pyrrolidine-1-carbothioamide is 220.10342 g/mol.
Where can I buy N-(4-methylphenyl)pyrrolidine-1-carbothioamide?
You can request a quote for N-(4-methylphenyl)pyrrolidine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methylphenyl)pyrrolidine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methylphenyl)pyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.