4-(3,4-Difluorophenyl)thiosemicarbazide
TL;DR: 4-(3,4-Difluorophenyl)thiosemicarbazide (CAS 848079-92-5) is a chemical compound with molecular formula C7H7F2N3S and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(3,4-difluorophenyl)thiourea
Also Known As: 4-(3,4-Difluorophenyl)thiosemicarbazide, 1-amino-3-(3,4-difluorophenyl)thiourea, 3-amino-1-(3,4-difluorophenyl)thiourea, [(3,4-difluorophenyl)amino]hydrazinomethane-1-thione
| Molecular Formula | C7H7F2N3S |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 1.1249 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.03287 |
| Heavy Atoms | 13 |
| Complexity | 329.51373 |
Chemical Identifiers
| CAS Number | 848079-92-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)NN)F)F |
Product Overview
4-(3,4-Difluorophenyl)thiosemicarbazide (CAS 848079-92-5), with molecular formula C7H7F2N3S and molecular weight 203.03 g/mol. IUPAC: 1-amino-3-(3,4-difluorophenyl)thiourea.
Chemical Property Profile of 4-(3,4-Difluorophenyl)thiosemicarbazide
Property Insights of 4-(3,4-Difluorophenyl)thiosemicarbazide
The XLogP value of 1.1249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Difluorophenyl)thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(3,4-Difluorophenyl)thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Difluorophenyl)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
Frequently Asked Questions
What is the CAS number of 4-(3,4-Difluorophenyl)thiosemicarbazide?
The CAS number of 4-(3,4-Difluorophenyl)thiosemicarbazide is 848079-92-5.
What is the molecular formula of 4-(3,4-Difluorophenyl)thiosemicarbazide?
The molecular formula of 4-(3,4-Difluorophenyl)thiosemicarbazide is C7H7F2N3S.
What is the molecular weight of 4-(3,4-Difluorophenyl)thiosemicarbazide?
The molecular weight of 4-(3,4-Difluorophenyl)thiosemicarbazide is 203.03 g/mol.
Where can I buy 4-(3,4-Difluorophenyl)thiosemicarbazide?
You can request a quote for 4-(3,4-Difluorophenyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Difluorophenyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Difluorophenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.