2-Benzamido-4-(isothiocyanatomethyl)thiazole
TL;DR: 2-Benzamido-4-(isothiocyanatomethyl)thiazole (CAS 152531-50-5) is a chemical compound with molecular formula C12H9N3OS2 and molecular weight 275.0187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide
Also Known As: 2-Bzcon-scnt, 2-Benzamido-4-(isothiocyanatomethyl)thiazole, N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide, N-(4-(Isothiocyanatomethyl)-2-thiazolyl)benzamide, Benzamide,N-[4-(isothiocyanatomethyl)-2-thiazolyl]-
Technical Specifications
| Molecular Formula | C12H9N3OS2 |
| Molecular Weight | 275.0187 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0187 Da |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S |
| InChIKey | ZWWCCCPUMWBZMQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzamido-4-(isothiocyanatomethyl)thiazole
Property Insights of 2-Benzamido-4-(isothiocyanatomethyl)thiazole
The XLogP value of 3.5 indicates that 2-Benzamido-4-(isothiocyanatomethyl)thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzamido-4-(isothiocyanatomethyl)thiazole. Following Lipinski's Rule of Five, 2-Benzamido-4-(isothiocyanatomethyl)thiazole 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
What is the CAS number of 2-Benzamido-4-(isothiocyanatomethyl)thiazole?
The CAS number of 2-Benzamido-4-(isothiocyanatomethyl)thiazole is 152531-50-5.
What is the molecular formula of 2-Benzamido-4-(isothiocyanatomethyl)thiazole?
The molecular formula of 2-Benzamido-4-(isothiocyanatomethyl)thiazole is C12H9N3OS2.
What is the molecular weight of 2-Benzamido-4-(isothiocyanatomethyl)thiazole?
The molecular weight of 2-Benzamido-4-(isothiocyanatomethyl)thiazole is 275.0187 g/mol.
Where can I buy 2-Benzamido-4-(isothiocyanatomethyl)thiazole?
You can request a quote for 2-Benzamido-4-(isothiocyanatomethyl)thiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzamido-4-(isothiocyanatomethyl)thiazole?
Yes, CoreyChem provides custom synthesis services for 2-Benzamido-4-(isothiocyanatomethyl)thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.