4-Fluorobenzyl carbamimidothioate
TL;DR: 4-Fluorobenzyl carbamimidothioate (CAS 500107-35-7) is a chemical compound with molecular formula C8H9FN2S and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)methyl carbamimidothioate
Also Known As: Maybridge1_007457, Maybridge3_001014, 4-fluorobenzyl carbamimidothioate, S-(4-Fluorobenzyl)isothiourea, 2-(4-Fluorobenzyl)isothiourea
| Molecular Formula | C8H9FN2S |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 1.95237 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04704 |
| Heavy Atoms | 12 |
| Complexity | 270.89127 |
Chemical Identifiers
| CAS Number | 500107-35-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=N)N)F |
Product Overview
4-Fluorobenzyl carbamimidothioate (CAS 500107-35-7), with molecular formula C8H9FN2S and molecular weight 184.05 g/mol. IUPAC: (4-fluorophenyl)methyl carbamimidothioate.
Chemical Property Profile of 4-Fluorobenzyl carbamimidothioate
Property Insights of 4-Fluorobenzyl carbamimidothioate
The XLogP value of 1.95237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzyl carbamimidothioate. With a topological polar surface area (TPSA) of 49.87 Ų, 4-Fluorobenzyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzyl carbamimidothioate 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-Fluorobenzyl carbamimidothioate?
The CAS number of 4-Fluorobenzyl carbamimidothioate is 500107-35-7.
What is the molecular formula of 4-Fluorobenzyl carbamimidothioate?
The molecular formula of 4-Fluorobenzyl carbamimidothioate is C8H9FN2S.
What is the molecular weight of 4-Fluorobenzyl carbamimidothioate?
The molecular weight of 4-Fluorobenzyl carbamimidothioate is 184.05 g/mol.
Where can I buy 4-Fluorobenzyl carbamimidothioate?
You can request a quote for 4-Fluorobenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.