3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione
TL;DR: 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione (CAS 22454-80-4) is a chemical compound with molecular formula C16H12N2S2 and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylideneamino)-4-phenyl-1,3-thiazole-2-thione
Also Known As: Fentiazon, Celdion, Calcium orotate, 3-Benzylideneamino-4-phenylthiazoline-2-thione, 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2-thione
| Molecular Formula | C16H12N2S2 |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0442 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 22454-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NN2C(=CSC2=S)C3=CC=CC=C3 |
| InChIKey | BIAGXFVBJBNHOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione (CAS 22454-80-4), with molecular formula C16H12N2S2 and molecular weight 296.04 g/mol. IUPAC: 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2-thione.
Chemical Property Profile of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione
Property Insights of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione
The XLogP value of 4.3 indicates that 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione. Following Lipinski's Rule of Five, 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione has 0 hydrogen bond donor(s) and 3 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 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione?
The CAS number of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione is 22454-80-4.
What is the molecular formula of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione?
The molecular formula of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione is C16H12N2S2.
What is the molecular weight of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione?
The molecular weight of 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione is 296.04 g/mol.
Where can I buy 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione?
You can request a quote for 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylideneamino)-4-phenyl-1,3-thiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.