(3,4-Difluorophenyl)thiourea
TL;DR: (3,4-Difluorophenyl)thiourea (CAS 883091-83-6) is a chemical compound with molecular formula C7H6F2N2S and molecular weight 188.02197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-difluorophenyl)thiourea
Also Known As: (3,4-difluorophenyl)thiourea, N-(3,4-difluorophenyl)thiourea, (3,4-Difluoro-phenyl)-thiourea, 1-(3,4-difluorophenyl)thiourea, 3,4-DIFLUOROPHENYLTHIOUREA
Technical Specifications
| Molecular Formula | C7H6F2N2S |
| Molecular Weight | 188.02197 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.02197 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | C1=CC(=C(C=C1NC(=S)N)F)F |
| InChIKey | ZVSHKASHVBNWLC-UHFFFAOYSA-N |
Chemical Property Profile of (3,4-Difluorophenyl)thiourea
Property Insights of (3,4-Difluorophenyl)thiourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Difluorophenyl)thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-Difluorophenyl)thiourea. Following Lipinski's Rule of Five, (3,4-Difluorophenyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3,4-Difluorophenyl)thiourea?
The CAS number of (3,4-Difluorophenyl)thiourea is 883091-83-6.
What is the molecular formula of (3,4-Difluorophenyl)thiourea?
The molecular formula of (3,4-Difluorophenyl)thiourea is C7H6F2N2S.
What is the molecular weight of (3,4-Difluorophenyl)thiourea?
The molecular weight of (3,4-Difluorophenyl)thiourea is 188.02197 g/mol.
Where can I buy (3,4-Difluorophenyl)thiourea?
You can request a quote for (3,4-Difluorophenyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,4-Difluorophenyl)thiourea?
Yes, CoreyChem provides custom synthesis services for (3,4-Difluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.