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methyl N-[(4-fluorophenyl)methyl]carbamodithioate
TL;DR: methyl N-[(4-fluorophenyl)methyl]carbamodithioate (CAS 61290-95-7) is a chemical compound with molecular formula C9H10FNS2 and molecular weight 215.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(4-fluorophenyl)methyl]carbamodithioate
Also Known As: Methyl 4-fluorobenzylcarbamodithioate, methyl N-[(4-fluorophenyl)methyl]carbamodithioate, Methyl4-fluorobenzylcarbamodithioate, methyl N-(4-fluorobenzyl)carbamodithioate, Methyl [(4-fluorophenyl)methyl]carbamodithioate
| Molecular Formula | C9H10FNS2 |
|---|---|
| Molecular Weight | 215.02 g/mol |
| LogP | 2.5632 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.02386 |
| Heavy Atoms | 13 |
| Complexity | 284.1711 |
Chemical Identifiers
| CAS Number | 61290-95-7 |
|---|---|
| SMILES | CSC(=S)NCC1=CC=C(C=C1)F |
Product Overview
methyl N-[(4-fluorophenyl)methyl]carbamodithioate (CAS 61290-95-7), with molecular formula C9H10FNS2 and molecular weight 215.02 g/mol. IUPAC: methyl N-[(4-fluorophenyl)methyl]carbamodithioate.
Chemical Property Profile of methyl N-[(4-fluorophenyl)methyl]carbamodithioate
Property Insights of methyl N-[(4-fluorophenyl)methyl]carbamodithioate
The XLogP value of 2.5632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-fluorophenyl)methyl]carbamodithioate. With a topological polar surface area (TPSA) of 12.03 Ų, methyl N-[(4-fluorophenyl)methyl]carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-[(4-fluorophenyl)methyl]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)methyl]carbamodithioate?
The CAS number of methyl N-[(4-fluorophenyl)methyl]carbamodithioate is 61290-95-7.
What is the molecular formula of methyl N-[(4-fluorophenyl)methyl]carbamodithioate?
The molecular formula of methyl N-[(4-fluorophenyl)methyl]carbamodithioate is C9H10FNS2.
What is the molecular weight of methyl N-[(4-fluorophenyl)methyl]carbamodithioate?
The molecular weight of methyl N-[(4-fluorophenyl)methyl]carbamodithioate is 215.02 g/mol.
Where can I buy methyl N-[(4-fluorophenyl)methyl]carbamodithioate?
You can request a quote for methyl N-[(4-fluorophenyl)methyl]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)methyl]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(4-fluorophenyl)methyl]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.