2-Phenacylmercaptothiazoline
TL;DR: 2-Phenacylmercaptothiazoline (CAS 17385-78-3) is a chemical compound with molecular formula C11H11NOS2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
Also Known As: 2-Phenacylmercaptothiazoline, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone, 1-phenyl-2-(1,3-thiazolin-2-ylthio)ethan-1-one, 2-(4,5-dihydrothiazol-2-ylthio)-1-phenylethanone, Ethanone, 2-[(4,5-dihydro-2-thiazolyl)thio]-1-phenyl-
| Molecular Formula | C11H11NOS2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.7053 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02821 |
| Heavy Atoms | 15 |
| Complexity | 375.43414 |
Chemical Identifiers
| CAS Number | 17385-78-3 |
|---|---|
| SMILES | C1CSC(=N1)SCC(=O)C2=CC=CC=C2 |
Product Overview
2-Phenacylmercaptothiazoline (CAS 17385-78-3), with molecular formula C11H11NOS2 and molecular weight 237.03 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone.
Chemical Property Profile of 2-Phenacylmercaptothiazoline
Property Insights of 2-Phenacylmercaptothiazoline
The XLogP value of 2.7053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenacylmercaptothiazoline. With a topological polar surface area (TPSA) of 29.43 Ų, 2-Phenacylmercaptothiazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenacylmercaptothiazoline has 0 hydrogen bond donor(s) and 4 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-Phenacylmercaptothiazoline?
The CAS number of 2-Phenacylmercaptothiazoline is 17385-78-3.
What is the molecular formula of 2-Phenacylmercaptothiazoline?
The molecular formula of 2-Phenacylmercaptothiazoline is C11H11NOS2.
What is the molecular weight of 2-Phenacylmercaptothiazoline?
The molecular weight of 2-Phenacylmercaptothiazoline is 237.03 g/mol.
Where can I buy 2-Phenacylmercaptothiazoline?
You can request a quote for 2-Phenacylmercaptothiazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenacylmercaptothiazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenacylmercaptothiazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.