2-Thiohydantoin
TL;DR: 2-Thiohydantoin (CAS 503-87-7) is a chemical compound with molecular formula C3H4N2OS and molecular weight 116.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylideneimidazolidin-4-one
Also Known As: 2-Thiohydantoin, Thiohydantoin, 2-thioxoimidazolidin-4-one, 4-Imidazolidinone, 2-thioxo-, 2-Thioxo-4-imidazolidinone
| Molecular Formula | C3H4N2OS |
|---|---|
| Molecular Weight | 116.00 g/mol |
| LogP | -1.0093 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.00443 |
| Heavy Atoms | 7 |
| Complexity | 108.10332 |
Chemical Identifiers
| CAS Number | 503-87-7 |
|---|---|
| SMILES | C1C(=O)NC(=S)N1 |
Product Overview
2-Thiohydantoin (CAS 503-87-7), with molecular formula C3H4N2OS and molecular weight 116.00 g/mol. IUPAC: 2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 2-Thiohydantoin
Property Insights of 2-Thiohydantoin
The XLogP value of -1.0093 indicates that 2-Thiohydantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.13 Ų, 2-Thiohydantoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiohydantoin 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 2-Thiohydantoin?
The CAS number of 2-Thiohydantoin is 503-87-7.
What is the molecular formula of 2-Thiohydantoin?
The molecular formula of 2-Thiohydantoin is C3H4N2OS.
What is the molecular weight of 2-Thiohydantoin?
The molecular weight of 2-Thiohydantoin is 116.00 g/mol.
Where can I buy 2-Thiohydantoin?
You can request a quote for 2-Thiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.