1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
TL;DR: 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one (CAS 512823-85-7) is a chemical compound with molecular formula C7H12N2OS and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-isobutyl-2-thiohydantoin, 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one, 3-isobutyl-2-thioxo-imidazolidin-4-one, 3-Isobutyl-2-thioxo-4-imidazolidinone, 3-isobutyl-2-thioxoimidazolidin-4-one
| Molecular Formula | C7H12N2OS |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.3591 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06703 |
| Heavy Atoms | 11 |
| Complexity | 174.8796 |
Chemical Identifiers
| CAS Number | 512823-85-7 |
|---|---|
| SMILES | CC(C)CN1C(=O)CNC1=S |
Product Overview
1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one (CAS 512823-85-7), with molecular formula C7H12N2OS and molecular weight 172.07 g/mol. IUPAC: 3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
Property Insights of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
The XLogP value of 0.3591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one. With a topological polar surface area (TPSA) of 32.34 Ų, 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one 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 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one?
The CAS number of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is 512823-85-7.
What is the molecular formula of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one?
The molecular formula of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is C7H12N2OS.
What is the molecular weight of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one?
The molecular weight of 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is 172.07 g/mol.
Where can I buy 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one?
You can request a quote for 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methylpropyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.