![2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine structure](/static/products/3541/354121-76-9.webp)
2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
TL;DR: 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine (CAS 354121-76-9) is a chemical compound with molecular formula C14H11FN2S2 and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
Also Known As: BIM-0040356.P001, 2-[(4-fluorobenzyl)thio]-1,3-benzothiazol-6-amine, 2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine, AN-988/14199004, 2-[(4-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-ylamine
| Molecular Formula | C14H11FN2S2 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03476 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 354121-76-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)F |
| InChIKey | GJXGYQVEPLKZDP-UHFFFAOYSA-N |
Product Overview
2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine (CAS 354121-76-9), with molecular formula C14H11FN2S2 and molecular weight 290.03 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine.
Chemical Property Profile of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
Property Insights of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
The XLogP value of 4.1 indicates that 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine has 1 hydrogen bond donor(s) and 5 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 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine?
The CAS number of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine is 354121-76-9.
What is the molecular formula of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine?
The molecular formula of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine is C14H11FN2S2.
What is the molecular weight of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine?
The molecular weight of 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine is 290.03 g/mol.
Where can I buy 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine?
You can request a quote for 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.