![2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea structure](/static/products/105/1052530-06-9.webp)
2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea
TL;DR: 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea (CAS 1052530-06-9) is a chemical compound with molecular formula C11H21BrN2O2S and molecular weight 324.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-methylbutyl)-5-oxooxolan-2-yl]methyl carbamimidothioate;hydrobromide
Also Known As: 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea, (4-isopentyl-5-oxotetrahydrofuran-2-yl)methyl carbamimidothioate hydrobromide
Technical Specifications
| Molecular Formula | C11H21BrN2O2S |
| Molecular Weight | 324.05072 g/mol |
| XLogP | 2.55887 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.05072 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | CC(C)CCC1CC(OC1=O)CSC(=N)N.Br |
| InChIKey | XUMZJOQZHLZXQS-UHFFFAOYSA-N |
Chemical Property Profile of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea
Property Insights of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea
The XLogP value of 2.55887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea. Following Lipinski's Rule of Five, 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea?
The CAS number of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea is 1052530-06-9.
What is the molecular formula of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea?
The molecular formula of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea is C11H21BrN2O2S.
What is the molecular weight of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea?
The molecular weight of 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea is 324.05072 g/mol.
Where can I buy 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea?
You can request a quote for 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea?
Yes, CoreyChem provides custom synthesis services for 2-[4-(3-Methyl-butyl)-5-oxo-tetrahydro-furan-2-ylmethyl]-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.