![tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate structure](/static/products/843/843619-52-3.png)
tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate
TL;DR: tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CAS 843619-52-3) is a chemical compound with molecular formula C9H15N3O3S and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate
Also Known As: tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate, tert-butyl N-[2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate, Tert-butyl (2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl N-[2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate, tert-Butyl 2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethylcarbamate
| Molecular Formula | C9H15N3O3S |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.79939 |
| Topological Polar Surface Area | 80.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08342 |
| Heavy Atoms | 16 |
| Complexity | 404.62198 |
Chemical Identifiers
| CAS Number | 843619-52-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NNC(=S)O1 |
Product Overview
tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CAS 843619-52-3), with molecular formula C9H15N3O3S and molecular weight 245.08 g/mol. IUPAC: tert-butyl N-[2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate.
Chemical Property Profile of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Property Insights of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate
The XLogP value of 1.79939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate. The TPSA of 80.15 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate. Following Lipinski's Rule of Five, tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate has 2 hydrogen bond donor(s) and 5 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 tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The CAS number of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate is 843619-52-3.
What is the molecular formula of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The molecular formula of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate is C9H15N3O3S.
What is the molecular weight of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The molecular weight of tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate is 245.08 g/mol.
Where can I buy tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
You can request a quote for tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl [2-(5-mercapto-1,3,4-oxadiazol-2-yl)ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.