1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide
TL;DR: 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide (CAS 7653-35-2) is a chemical compound with molecular formula C9H8F3N3OS and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-(trifluoromethyl)benzoyl]amino]thiourea
Also Known As: [[3-(trifluoromethyl)benzoyl]amino]thiourea|1-(3-trifluoromethyl-benzoyl)-thiosemicarbazide|2-(3-(trifluoromethyl)benzoyl)hydrazinecarbothioamide|VQAOAFRWYYKQRP-UHFFFAOYSA-N
| Molecular Formula | C9H8F3N3OS |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 1.1834 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.03403 |
| Heavy Atoms | 17 |
| Complexity | 447.35736 |
Chemical Identifiers
| CAS Number | 7653-35-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NNC(=S)N |
Product Overview
1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide (CAS 7653-35-2), with molecular formula C9H8F3N3OS and molecular weight 263.03 g/mol. IUPAC: [[3-(trifluoromethyl)benzoyl]amino]thiourea.
Chemical Property Profile of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide
Property Insights of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide
The XLogP value of 1.1834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide. Following Lipinski's Rule of Five, 1-(3-Trifluoromethyl-benzoyl)-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 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide?
The CAS number of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide is 7653-35-2.
What is the molecular formula of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide?
The molecular formula of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide is C9H8F3N3OS.
What is the molecular weight of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide?
The molecular weight of 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide is 263.03 g/mol.
Where can I buy 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide?
You can request a quote for 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Trifluoromethyl-benzoyl)-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.