![3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea structure](/static/products/7214/721418-90-2.webp)
3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea
TL;DR: 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea (CAS 721418-90-2) is a chemical compound with molecular formula C12H18FN3S and molecular weight 255.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-1-tert-butyl-3-[(4-fluorophenyl)methyl]thiourea
Also Known As: 3-amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea, 1-tert-butyl-N-(4-fluorobenzyl)hydrazinecarbothioamide, 1-amino-1-tert-butyl-3-[(4-fluorophenyl)methyl]thiourea
| Molecular Formula | C12H18FN3S |
|---|---|
| Molecular Weight | 255.12 g/mol |
| LogP | 2.1744 |
| Topological Polar Surface Area | 41.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.12054 |
| Heavy Atoms | 17 |
| Complexity | 383.73236 |
Chemical Identifiers
| CAS Number | 721418-90-2 |
|---|---|
| SMILES | CC(C)(C)N(C(=S)NCC1=CC=C(C=C1)F)N |
Product Overview
3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea (CAS 721418-90-2), with molecular formula C12H18FN3S and molecular weight 255.12 g/mol. IUPAC: 1-amino-1-tert-butyl-3-[(4-fluorophenyl)methyl]thiourea.
Chemical Property Profile of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea
Property Insights of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea
The XLogP value of 2.1744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea. With a topological polar surface area (TPSA) of 41.29 Ų, 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]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 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea?
The CAS number of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea is 721418-90-2.
What is the molecular formula of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea?
The molecular formula of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea is C12H18FN3S.
What is the molecular weight of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea?
The molecular weight of 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea is 255.12 g/mol.
Where can I buy 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea?
You can request a quote for 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-tert-butyl-1-[(4-fluorophenyl)methyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.