Phenylthiohydantoin
TL;DR: Phenylthiohydantoin (CAS 29635-94-7) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: Pth-glycine, 3-Phenyl-2-thiohydantoin, 3-Phenyl-2-thioxoimidazolidin-4-one, PHENYLTHIOHYDANTOIN, Phenylthiohydantoin-glycine
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 29635-94-7 |
|---|---|
| SMILES | C1C(=O)N(C(=S)N1)C2=CC=CC=C2 |
| InChIKey | ZZRIQDWDJVLELF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylthiohydantoin (CAS 29635-94-7), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of Phenylthiohydantoin
Property Insights of Phenylthiohydantoin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiohydantoin. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylthiohydantoin. Following Lipinski's Rule of Five, Phenylthiohydantoin has 1 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 Phenylthiohydantoin?
The CAS number of Phenylthiohydantoin is 29635-94-7.
What is the molecular formula of Phenylthiohydantoin?
The molecular formula of Phenylthiohydantoin is C9H8N2OS.
What is the molecular weight of Phenylthiohydantoin?
The molecular weight of Phenylthiohydantoin is 192.04 g/mol.
Where can I buy Phenylthiohydantoin?
You can request a quote for Phenylthiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for Phenylthiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.