![Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester structure](/static/products/1339/13393-56-1.webp)
Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester
TL;DR: Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester (CAS 13393-56-1) is a chemical compound with molecular formula C9H16N2O2S4 and molecular weight 312.00946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,2-bis(dimethylcarbamothioylsulfanyl)acetate
Also Known As: methyl bis[(dimethylcarbamothioyl)sulfanyl]acetate, Acetic acid, bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester, methyl 2,2-bis(dimethylcarbamothioylsulfanyl)acetate, Methoxycarbonylmethylene bis(N,N-dimethyldithiocarbamate), Methyl bis(((dimethylamino)thioxomethyl)thio)acetate
Technical Specifications
| Molecular Formula | C9H16N2O2S4 |
| Molecular Weight | 312.00946 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.00946 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CN(C)C(=S)SC(C(=O)OC)SC(=S)N(C)C |
| InChIKey | JBYHBIUXSCRTHZ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester
Property Insights of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester. The TPSA of 148.0 Ų indicates high polarity, suggesting Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester?
The CAS number of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester is 13393-56-1.
What is the molecular formula of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester?
The molecular formula of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester is C9H16N2O2S4.
What is the molecular weight of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester?
The molecular weight of Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester is 312.00946 g/mol.
Where can I buy Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester?
You can request a quote for Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 2,2-bis[[(dimethylamino)thioxomethyl]thio]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.