1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea
TL;DR: 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea (CAS 189281-98-9) is a chemical compound with molecular formula C14H20F2N2S2 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3,3-dimethylbutan-2-yl)thiourea
Also Known As: T0503-5716, 1-(4-DIFLUOROMETHYLSULFANYL-PHENYL)-3-(1,2,2-TRIMETHYL-PROPYL)-THIOUREA, 1-[4-(difluoromethylsulfanyl)phenyl]-3-(3,3-dimethylbutan-2-yl)thiourea, Thiourea, N-[4-[(difluoromethyl)thio]phenyl]-N'-(1,2,2-trimethylpropyl)-, N-{4-[(Difluoromethyl)sulfanyl]phenyl}-N'-(3,3-dimethylbutan-2-yl)thiourea
| Molecular Formula | C14H20F2N2S2 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 4.7223 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1036 |
| Heavy Atoms | 20 |
| Complexity | 441.48227 |
Chemical Identifiers
| CAS Number | 189281-98-9 |
|---|---|
| SMILES | CC(C(C)(C)C)NC(=S)NC1=CC=C(C=C1)SC(F)F |
Product Overview
1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea (CAS 189281-98-9), with molecular formula C14H20F2N2S2 and molecular weight 318.10 g/mol. IUPAC: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(3,3-dimethylbutan-2-yl)thiourea.
Chemical Property Profile of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea
Property Insights of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea
The XLogP value of 4.7223 indicates that 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea 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 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea?
The CAS number of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea is 189281-98-9.
What is the molecular formula of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea?
The molecular formula of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea is C14H20F2N2S2.
What is the molecular weight of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea?
The molecular weight of 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea is 318.10 g/mol.
Where can I buy 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea?
You can request a quote for 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.