3-Isopropyl-2-thiohydantoin
TL;DR: 3-Isopropyl-2-thiohydantoin (CAS 86402-14-4) is a chemical compound with molecular formula C6H10N2OS and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-isopropyl-2-thiohydantoin, 2-Thioxo-3-isopropylimidazolidine-4-one, 3-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one, J2.583.013J, 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C6H10N2OS |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 0.1115 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.05139 |
| Heavy Atoms | 10 |
| Complexity | 162.58662 |
Chemical Identifiers
| CAS Number | 86402-14-4 |
|---|---|
| SMILES | CC(C)N1C(=O)CNC1=S |
Product Overview
3-Isopropyl-2-thiohydantoin (CAS 86402-14-4), with molecular formula C6H10N2OS and molecular weight 158.05 g/mol. IUPAC: 3-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-Isopropyl-2-thiohydantoin
Property Insights of 3-Isopropyl-2-thiohydantoin
The XLogP value of 0.1115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-2-thiohydantoin. With a topological polar surface area (TPSA) of 32.34 Ų, 3-Isopropyl-2-thiohydantoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-2-thiohydantoin 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 3-Isopropyl-2-thiohydantoin?
The CAS number of 3-Isopropyl-2-thiohydantoin is 86402-14-4.
What is the molecular formula of 3-Isopropyl-2-thiohydantoin?
The molecular formula of 3-Isopropyl-2-thiohydantoin is C6H10N2OS.
What is the molecular weight of 3-Isopropyl-2-thiohydantoin?
The molecular weight of 3-Isopropyl-2-thiohydantoin is 158.05 g/mol.
Where can I buy 3-Isopropyl-2-thiohydantoin?
You can request a quote for 3-Isopropyl-2-thiohydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-2-thiohydantoin?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-2-thiohydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.