4-(Trifluoromethylthio)phenylthiourea
TL;DR: 4-(Trifluoromethylthio)phenylthiourea (CAS 886499-77-0) is a chemical compound with molecular formula C8H7F3N2S2 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethylsulfanyl)phenyl]thiourea
Also Known As: 4-(Trifluoromethylthio)phenylthiourea, 1-(4-((Trifluoromethyl)thio)phenyl)thiourea, [4-(trifluoromethylsulfanyl)phenyl]thiourea, {4-[(trifluoromethyl)sulfanyl]phenyl}thiourea
| Molecular Formula | C8H7F3N2S2 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.954 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.00027 |
| Heavy Atoms | 15 |
| Complexity | 347.89957 |
Chemical Identifiers
| CAS Number | 886499-77-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)N)SC(F)(F)F |
Product Overview
4-(Trifluoromethylthio)phenylthiourea (CAS 886499-77-0), with molecular formula C8H7F3N2S2 and molecular weight 252.00 g/mol. IUPAC: [4-(trifluoromethylsulfanyl)phenyl]thiourea.
Chemical Property Profile of 4-(Trifluoromethylthio)phenylthiourea
Property Insights of 4-(Trifluoromethylthio)phenylthiourea
The XLogP value of 2.954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethylthio)phenylthiourea. With a topological polar surface area (TPSA) of 38.05 Ų, 4-(Trifluoromethylthio)phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethylthio)phenylthiourea has 2 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-(Trifluoromethylthio)phenylthiourea?
The CAS number of 4-(Trifluoromethylthio)phenylthiourea is 886499-77-0.
What is the molecular formula of 4-(Trifluoromethylthio)phenylthiourea?
The molecular formula of 4-(Trifluoromethylthio)phenylthiourea is C8H7F3N2S2.
What is the molecular weight of 4-(Trifluoromethylthio)phenylthiourea?
The molecular weight of 4-(Trifluoromethylthio)phenylthiourea is 252.00 g/mol.
Where can I buy 4-(Trifluoromethylthio)phenylthiourea?
You can request a quote for 4-(Trifluoromethylthio)phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethylthio)phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylthio)phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.