(3-Fluorophenyl)methyl carbamimidothioate
TL;DR: (3-Fluorophenyl)methyl carbamimidothioate (CAS 775263-49-5) 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.
(3-fluorophenyl)methyl carbamimidothioate
Also Known As: 3-fluorobenzyl carbamimidothioate, (3-fluorophenyl)methyl carbamimidothioate, AB01329037-02
| 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 | 288.14127 |
Chemical Identifiers
| CAS Number | 775263-49-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC(=N)N |
Product Overview
(3-Fluorophenyl)methyl carbamimidothioate (CAS 775263-49-5), with molecular formula C8H9FN2S and molecular weight 184.05 g/mol. IUPAC: (3-fluorophenyl)methyl carbamimidothioate.
Chemical Property Profile of (3-Fluorophenyl)methyl carbamimidothioate
Property Insights of (3-Fluorophenyl)methyl carbamimidothioate
The XLogP value of 1.95237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Fluorophenyl)methyl carbamimidothioate. With a topological polar surface area (TPSA) of 49.87 Ų, (3-Fluorophenyl)methyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Fluorophenyl)methyl 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 (3-Fluorophenyl)methyl carbamimidothioate?
The CAS number of (3-Fluorophenyl)methyl carbamimidothioate is 775263-49-5.
What is the molecular formula of (3-Fluorophenyl)methyl carbamimidothioate?
The molecular formula of (3-Fluorophenyl)methyl carbamimidothioate is C8H9FN2S.
What is the molecular weight of (3-Fluorophenyl)methyl carbamimidothioate?
The molecular weight of (3-Fluorophenyl)methyl carbamimidothioate is 184.05 g/mol.
Where can I buy (3-Fluorophenyl)methyl carbamimidothioate?
You can request a quote for (3-Fluorophenyl)methyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Fluorophenyl)methyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluorophenyl)methyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.