4-(4-Trifluoromethoxyphenyl)thiosemicarbazide
TL;DR: 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide (CAS 848079-91-4) is a chemical compound with molecular formula C8H8F3N3OS and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
Also Known As: 4-(4-TRIFLUOROMETHOXYPHENYL)THIOSEMICARBAZIDE, 1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea, N-(4-Trifluoromethoxyphenyl) hydrazinecarbothioamide, 3-amino-1-[4-(trifluoromethoxy)phenyl]thiourea, Hydrazinecarbothioamide, N-[4-(trifluoromethoxy)phenyl]-
| Molecular Formula | C8H8F3N3OS |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 1.7453 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.03401 |
| Heavy Atoms | 16 |
| Complexity | 365.78644 |
Chemical Identifiers
| CAS Number | 848079-91-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NN)OC(F)(F)F |
Product Overview
4-(4-Trifluoromethoxyphenyl)thiosemicarbazide (CAS 848079-91-4), with molecular formula C8H8F3N3OS and molecular weight 251.03 g/mol. IUPAC: 1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea.
Chemical Property Profile of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide
Property Insights of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide
The XLogP value of 1.7453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide. With a topological polar surface area (TPSA) of 59.31 Ų, 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide has 3 hydrogen bond donor(s) and 3 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-(4-Trifluoromethoxyphenyl)thiosemicarbazide?
The CAS number of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide is 848079-91-4.
What is the molecular formula of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide?
The molecular formula of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide is C8H8F3N3OS.
What is the molecular weight of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide?
The molecular weight of 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide is 251.03 g/mol.
Where can I buy 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide?
You can request a quote for 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Trifluoromethoxyphenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.