(S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate (CAS 1173669-14-1) is a chemical compound with molecular formula C11H19N3O3S2 and molecular weight 305.0868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-3-methylsulfanyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate, tert-butyl N-[(1S)-3-methylsulfanyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]carbamate
Technical Specifications
| Molecular Formula | C11H19N3O3S2 |
| Molecular Weight | 305.0868 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.0868 Da |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCSC)C1=NNC(=S)O1 |
| InChIKey | DJECSNYJGIYGKS-ZETCQYMHSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 1173669-14-1.
What is the molecular formula of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is C11H19N3O3S2.
What is the molecular weight of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 305.0868 g/mol.
Where can I buy (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.