4-Fluoro-3-methylphenyl isothiocyanate
TL;DR: 4-Fluoro-3-methylphenyl isothiocyanate (CAS 351003-66-2) is a chemical compound with molecular formula C8H6FNS and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-isothiocyanato-2-methylbenzene
Also Known As: 4-Fluoro-3-Methylphenyl Isothiocyanate, 1-fluoro-4-isothiocyanato-2-methylbenzene, 4-fluoro-3-methylphenylisothiocyanate, 3-BENZOYLPROPIOPHENONE, 1-fluoro-4-isothiocyanato-2-methyl-benzene
| Molecular Formula | C8H6FNS |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 2.86842 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0205 |
| Heavy Atoms | 11 |
| Complexity | 315.86813 |
Chemical Identifiers
| CAS Number | 351003-66-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N=C=S)F |
Product Overview
4-Fluoro-3-methylphenyl isothiocyanate (CAS 351003-66-2), with molecular formula C8H6FNS and molecular weight 167.02 g/mol. IUPAC: 1-fluoro-4-isothiocyanato-2-methylbenzene.
Chemical Property Profile of 4-Fluoro-3-methylphenyl isothiocyanate
Property Insights of 4-Fluoro-3-methylphenyl isothiocyanate
The XLogP value of 2.86842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-methylphenyl isothiocyanate. With a topological polar surface area (TPSA) of 12.36 Ų, 4-Fluoro-3-methylphenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-methylphenyl isothiocyanate has 0 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-Fluoro-3-methylphenyl isothiocyanate?
The CAS number of 4-Fluoro-3-methylphenyl isothiocyanate is 351003-66-2.
What is the molecular formula of 4-Fluoro-3-methylphenyl isothiocyanate?
The molecular formula of 4-Fluoro-3-methylphenyl isothiocyanate is C8H6FNS.
What is the molecular weight of 4-Fluoro-3-methylphenyl isothiocyanate?
The molecular weight of 4-Fluoro-3-methylphenyl isothiocyanate is 167.02 g/mol.
Where can I buy 4-Fluoro-3-methylphenyl isothiocyanate?
You can request a quote for 4-Fluoro-3-methylphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-methylphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-methylphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.