4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide
TL;DR: 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide (CAS 217816-18-7) is a chemical compound with molecular formula C14H9F6N3OS2 and molecular weight 413.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(trifluoromethyl)phenyl]-3-(thiophene-2-carbonylamino)thiourea
Also Known As: 4-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1-(2-THIENYLCARBONYL)THIOSEMICARBAZIDE, 1-[3,5-bis(trifluoromethyl)phenyl]-3-(thiophene-2-carbonylamino)thiourea, N-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)thiophene-2-carboxamide, C14H9F6N3OS2
| Molecular Formula | C14H9F6N3OS2 |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 4.4171 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.00912 |
| Heavy Atoms | 26 |
| Complexity | 769.74884 |
Chemical Identifiers
| CAS Number | 217816-18-7 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide (CAS 217816-18-7), with molecular formula C14H9F6N3OS2 and molecular weight 413.01 g/mol. IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(thiophene-2-carbonylamino)thiourea.
Chemical Property Profile of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide
Property Insights of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide
The XLogP value of 4.4171 indicates that 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)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-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide?
The CAS number of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide is 217816-18-7.
What is the molecular formula of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide?
The molecular formula of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide is C14H9F6N3OS2.
What is the molecular weight of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide?
The molecular weight of 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide is 413.01 g/mol.
Where can I buy 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide?
You can request a quote for 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Bis(trifluoromethyl)phenyl)-1-(2-thienylcarbonyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.