S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate
TL;DR: S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate (CAS 138111-22-5) is a chemical compound with molecular formula C4H7NO2S2 and molecular weight 164.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl (2-amino-2-oxoethyl)sulfanylmethanethioate
Also Known As: S- o-methyldithiocarbonate, Acetamide, 2-methoxythiocarbonylthio-, S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate, O-methyl (2-amino-2-oxoethyl)sulfanylmethanethioate, 2-[(METHOXYMETHANETHIOYL)SULFANYL]ACETAMIDE
| Molecular Formula | C4H7NO2S2 |
|---|---|
| Molecular Weight | 164.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.99182 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 138111-22-5 |
|---|---|
| SMILES | COC(=S)SCC(=O)N |
| InChIKey | UCLBTIFUWMSXMK-UHFFFAOYSA-N |
Product Overview
S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate (CAS 138111-22-5), with molecular formula C4H7NO2S2 and molecular weight 164.99 g/mol. IUPAC: O-methyl (2-amino-2-oxoethyl)sulfanylmethanethioate.
Chemical Property Profile of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate
Property Insights of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate. Following Lipinski's Rule of Five, S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate has 1 hydrogen bond donor(s) and 4 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 S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate?
The CAS number of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate is 138111-22-5.
What is the molecular formula of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate?
The molecular formula of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate is C4H7NO2S2.
What is the molecular weight of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate?
The molecular weight of S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate is 164.99 g/mol.
Where can I buy S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate?
You can request a quote for S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Amino-2-oxoethyl) o-methyl dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.