2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
TL;DR: 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea (CAS 1052530-05-8) is a chemical compound with molecular formula C10H19BrN2O2S and molecular weight 310.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-butyl-5-oxooxolan-2-yl)methyl carbamimidothioate;hydrobromide
Also Known As: 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
Technical Specifications
| Molecular Formula | C10H19BrN2O2S |
| Molecular Weight | 310.03506 g/mol |
| XLogP | 2.31287 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.03506 Da |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
| SMILES | CCCCC1CC(OC1=O)CSC(=N)N.Br |
| InChIKey | POYHJPQGENWYDO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
Property Insights of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea
The XLogP value of 2.31287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-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-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea. Following Lipinski's Rule of Five, 2-(4-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-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
The CAS number of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is 1052530-05-8.
What is the molecular formula of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
The molecular formula of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is C10H19BrN2O2S.
What is the molecular weight of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
The molecular weight of 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea is 310.03506 g/mol.
Where can I buy 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
You can request a quote for 2-(4-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-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea?
Yes, CoreyChem provides custom synthesis services for 2-(4-Butyl-5-oxo-tetrahydro-furan-2-ylmethyl)-isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.