Tert-Butyl (2-(methylthio)ethyl)carbamate
TL;DR: Tert-Butyl (2-(methylthio)ethyl)carbamate (CAS 174362-09-5) is a chemical compound with molecular formula C8H17NO2S and molecular weight 191.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-methylsulfanylethyl)carbamate
Also Known As: Tert-Butyl (2-(methylthio)ethyl)carbamate, Tert-butyl N-(2-methylsulfanylethyl)carbamate, N-Boc-2-(methylthio)ethylamine, tert-butyl N-[2-(methylsulfanyl)ethyl]carbamate, tert-Butyl(2-(methylthio)ethyl)carbamate
| Molecular Formula | C8H17NO2S |
|---|---|
| Molecular Weight | 191.10 g/mol |
| LogP | 1.8741 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.098 |
| Heavy Atoms | 12 |
| Complexity | 142.4835 |
Chemical Identifiers
| CAS Number | 174362-09-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCSC |
Product Overview
Tert-Butyl (2-(methylthio)ethyl)carbamate (CAS 174362-09-5), with molecular formula C8H17NO2S and molecular weight 191.10 g/mol. IUPAC: tert-butyl N-(2-methylsulfanylethyl)carbamate.
Chemical Property Profile of Tert-Butyl (2-(methylthio)ethyl)carbamate
Property Insights of Tert-Butyl (2-(methylthio)ethyl)carbamate
The XLogP value of 1.8741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-Butyl (2-(methylthio)ethyl)carbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Tert-Butyl (2-(methylthio)ethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-Butyl (2-(methylthio)ethyl)carbamate has 1 hydrogen bond donor(s) and 3 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-(methylthio)ethyl)carbamate?
The CAS number of Tert-Butyl (2-(methylthio)ethyl)carbamate is 174362-09-5.
What is the molecular formula of Tert-Butyl (2-(methylthio)ethyl)carbamate?
The molecular formula of Tert-Butyl (2-(methylthio)ethyl)carbamate is C8H17NO2S.
What is the molecular weight of Tert-Butyl (2-(methylthio)ethyl)carbamate?
The molecular weight of Tert-Butyl (2-(methylthio)ethyl)carbamate is 191.10 g/mol.
Where can I buy Tert-Butyl (2-(methylthio)ethyl)carbamate?
You can request a quote for Tert-Butyl (2-(methylthio)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-(methylthio)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-Butyl (2-(methylthio)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.