1-(2,6-Xylyl)thiourea
TL;DR: 1-(2,6-Xylyl)thiourea (CAS 1263283-37-9) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,6-dimethylphenyl)thiourea
Also Known As: 1-(2,6-dimethylphenyl)thiourea, 2,6-dimethylphenylthiourea, (2,6-dimethylphenyl)thiourea, 1-(2,6-Dimethylphenyl)-2-thiourea, 1-(2,6-Xylyl)thiourea
Technical Specifications
| Molecular Formula | C9H12N2S |
| Molecular Weight | 180.07211 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.07211 Da |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=S)N |
| InChIKey | ASNKJUONFPQYPC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,6-Xylyl)thiourea
Property Insights of 1-(2,6-Xylyl)thiourea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Xylyl)thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Xylyl)thiourea. Following Lipinski's Rule of Five, 1-(2,6-Xylyl)thiourea 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
What is the CAS number of 1-(2,6-Xylyl)thiourea?
The CAS number of 1-(2,6-Xylyl)thiourea is 1263283-37-9.
What is the molecular formula of 1-(2,6-Xylyl)thiourea?
The molecular formula of 1-(2,6-Xylyl)thiourea is C9H12N2S.
What is the molecular weight of 1-(2,6-Xylyl)thiourea?
The molecular weight of 1-(2,6-Xylyl)thiourea is 180.07211 g/mol.
Where can I buy 1-(2,6-Xylyl)thiourea?
You can request a quote for 1-(2,6-Xylyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,6-Xylyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(2,6-Xylyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.