Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)
TL;DR: Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) (CAS 101491-87-6) is a chemical compound with molecular formula C9H17NO4S and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(ethoxycarbonylamino)ethylsulfanylformate
Also Known As: propyl 2-(ethoxycarbonylamino)ethylsulfanylformate, n-Propyl N-(2-(n-propylthiolcarbonato)ethyl) carbamate, CARBAMIC ACID, N-(2-MERCAPTOETHYL)-, ETHYL ESTER, PROPYLTHIOCARBONATE (ester), s-{2-[(ethoxycarbonyl)amino]ethyl} o-propyl carbonothioate, CARBAMIC ACID, N-(2-MERCAPTOETHYL)-, ETHYL ESTER, PROPYLTHIOCARBONATE (ester)
| Molecular Formula | C9H17NO4S |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 235.08783 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 101491-87-6 |
|---|---|
| SMILES | CCCOC(=O)SCCNC(=O)OCC |
| InChIKey | WAQHNGIEVJOWKV-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) (CAS 101491-87-6), with molecular formula C9H17NO4S and molecular weight 235.09 g/mol. IUPAC: propyl 2-(ethoxycarbonylamino)ethylsulfanylformate.
Chemical Property Profile of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)
Property Insights of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester). The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester). Following Lipinski's Rule of Five, Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) has 1 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 Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)?
The CAS number of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) is 101491-87-6.
What is the molecular formula of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)?
The molecular formula of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) is C9H17NO4S.
What is the molecular weight of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)?
The molecular weight of Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) is 235.09 g/mol.
Where can I buy Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)?
You can request a quote for Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.