Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester
TL;DR: Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester (CAS 3239-19-8) is a chemical compound with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl [2-(dimethylamino)-2-oxoethyl]sulfanylmethanethioate
Also Known As: Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester, (Z)-6,10-Dimethylundeca-5,9-dien-2-yl acetate, S-[2-(Dimethylamino)-2-oxoethyl] O-methyl carbonodithioate, O-methyl [2-(dimethylamino)-2-oxoethyl]sulfanylmethanethioate
| Molecular Formula | C6H11NO2S2 |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 0.7391 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.02312 |
| Heavy Atoms | 11 |
| Complexity | 158.66127 |
Chemical Identifiers
| CAS Number | 3239-19-8 |
|---|---|
| SMILES | CN(C)C(=O)CSC(=S)OC |
Product Overview
Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester (CAS 3239-19-8), with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol. IUPAC: O-methyl [2-(dimethylamino)-2-oxoethyl]sulfanylmethanethioate.
Chemical Property Profile of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester
Property Insights of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester
The XLogP value of 0.7391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester has 0 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 Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester?
The CAS number of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester is 3239-19-8.
What is the molecular formula of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester?
The molecular formula of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester is C6H11NO2S2.
What is the molecular weight of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester?
The molecular weight of Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester is 193.02 g/mol.
Where can I buy Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester?
You can request a quote for Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonodithioic acid, S-(2-(dimethylamino)-2-oxoethyl) O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.