methyl N-(4-fluorophenyl)carbamodithioate
TL;DR: methyl N-(4-fluorophenyl)carbamodithioate (CAS 33692-68-1) is a chemical compound with molecular formula C8H8FNS2 and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-fluorophenyl)carbamodithioate
Also Known As: methyl N-(4-fluorophenyl)carbamodithioate, N-(4-fluorophenyl)(methylsulfanyl)carbothioamide, 4-Fluorophenyldithiocarbamic acid methyl ester, J1.510.464C
| Molecular Formula | C8H8FNS2 |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 2.8855 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.00822 |
| Heavy Atoms | 12 |
| Complexity | 270.89127 |
Chemical Identifiers
| CAS Number | 33692-68-1 |
|---|---|
| SMILES | CSC(=S)NC1=CC=C(C=C1)F |
Product Overview
methyl N-(4-fluorophenyl)carbamodithioate (CAS 33692-68-1), with molecular formula C8H8FNS2 and molecular weight 201.01 g/mol. IUPAC: methyl N-(4-fluorophenyl)carbamodithioate.
Chemical Property Profile of methyl N-(4-fluorophenyl)carbamodithioate
Property Insights of methyl N-(4-fluorophenyl)carbamodithioate
The XLogP value of 2.8855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4-fluorophenyl)carbamodithioate. With a topological polar surface area (TPSA) of 12.03 Ų, methyl N-(4-fluorophenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(4-fluorophenyl)carbamodithioate has 1 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 methyl N-(4-fluorophenyl)carbamodithioate?
The CAS number of methyl N-(4-fluorophenyl)carbamodithioate is 33692-68-1.
What is the molecular formula of methyl N-(4-fluorophenyl)carbamodithioate?
The molecular formula of methyl N-(4-fluorophenyl)carbamodithioate is C8H8FNS2.
What is the molecular weight of methyl N-(4-fluorophenyl)carbamodithioate?
The molecular weight of methyl N-(4-fluorophenyl)carbamodithioate is 201.01 g/mol.
Where can I buy methyl N-(4-fluorophenyl)carbamodithioate?
You can request a quote for methyl N-(4-fluorophenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-fluorophenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-fluorophenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.