Benzalthiohydantoin
TL;DR: Benzalthiohydantoin (CAS 4168-81-4) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylidene-2-sulfanylideneimidazolidin-4-one
Also Known As: Benzalthiohydantoin, 5-Benzylidene-2-thiohydantoin, 5-Benzylidene-2-thioguidanthion, HYDANTOIN, 5-BENZYLIDENE-2-THIO-, 4-Benzylidene-2-sulfanyl-4H-imidazol-5-ol
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.0318 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 411.38998 |
Chemical Identifiers
| CAS Number | 4168-81-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2 |
Product Overview
Benzalthiohydantoin (CAS 4168-81-4), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: 5-benzylidene-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of Benzalthiohydantoin
Property Insights of Benzalthiohydantoin
The XLogP value of 1.0318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzalthiohydantoin. With a topological polar surface area (TPSA) of 41.13 Ų, Benzalthiohydantoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzalthiohydantoin has 2 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 Benzalthiohydantoin?
The CAS number of Benzalthiohydantoin is 4168-81-4.
What is the molecular formula of Benzalthiohydantoin?
The molecular formula of Benzalthiohydantoin is C10H8N2OS.
What is the molecular weight of Benzalthiohydantoin?
The molecular weight of Benzalthiohydantoin is 204.04 g/mol.
Where can I buy Benzalthiohydantoin?
You can request a quote for Benzalthiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzalthiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for Benzalthiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.