1-Acetyl-4-(4-tolyl)thiosemicarbazide
TL;DR: 1-Acetyl-4-(4-tolyl)thiosemicarbazide (CAS 152473-68-2) is a chemical compound with molecular formula C10H13N3OS and molecular weight 223.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetamido-3-(4-methylphenyl)thiourea
Also Known As: 1-Attsc, 1-Acetyl-4-(4-tolyl)thiosemicarbazide, 1-acetamido-3-(4-methylphenyl)thiourea, 1-Acetyl-4-(para-tolyl)thiosemicarbazide, 4-(4-Methylphenyl)-1-acetylthiosemicarbazide
Technical Specifications
| Molecular Formula | C10H13N3OS |
| Molecular Weight | 223.07793 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.07793 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)C |
| InChIKey | AYSWCAAZWCKZCI-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetyl-4-(4-tolyl)thiosemicarbazide
Property Insights of 1-Acetyl-4-(4-tolyl)thiosemicarbazide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-(4-tolyl)thiosemicarbazide. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-(4-tolyl)thiosemicarbazide. Following Lipinski's Rule of Five, 1-Acetyl-4-(4-tolyl)thiosemicarbazide has 3 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 1-Acetyl-4-(4-tolyl)thiosemicarbazide?
The CAS number of 1-Acetyl-4-(4-tolyl)thiosemicarbazide is 152473-68-2.
What is the molecular formula of 1-Acetyl-4-(4-tolyl)thiosemicarbazide?
The molecular formula of 1-Acetyl-4-(4-tolyl)thiosemicarbazide is C10H13N3OS.
What is the molecular weight of 1-Acetyl-4-(4-tolyl)thiosemicarbazide?
The molecular weight of 1-Acetyl-4-(4-tolyl)thiosemicarbazide is 223.07793 g/mol.
Where can I buy 1-Acetyl-4-(4-tolyl)thiosemicarbazide?
You can request a quote for 1-Acetyl-4-(4-tolyl)thiosemicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetyl-4-(4-tolyl)thiosemicarbazide?
Yes, CoreyChem provides custom synthesis services for 1-Acetyl-4-(4-tolyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.