Butyl (((dimethylamino)thioxomethyl)thio)acetate
TL;DR: Butyl (((dimethylamino)thioxomethyl)thio)acetate (CAS 70031-49-1) is a chemical compound with molecular formula C9H17NO2S2 and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(dimethylcarbamothioylsulfanyl)acetate
Also Known As: EINECS 274-286-2, butyl[[ thioxomethyl]thio]acetate, Butyl (((dimethylamino)thioxomethyl)thio)acetate, AI3-22899, butyl 2-(dimethylcarbamothioylsulfanyl)acetate
| Molecular Formula | C9H17NO2S2 |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 1.9094 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.07007 |
| Heavy Atoms | 14 |
| Complexity | 195.25098 |
Chemical Identifiers
| CAS Number | 70031-49-1 |
|---|---|
| SMILES | CCCCOC(=O)CSC(=S)N(C)C |
Product Overview
Butyl (((dimethylamino)thioxomethyl)thio)acetate (CAS 70031-49-1), with molecular formula C9H17NO2S2 and molecular weight 235.07 g/mol. IUPAC: butyl 2-(dimethylcarbamothioylsulfanyl)acetate.
Chemical Property Profile of Butyl (((dimethylamino)thioxomethyl)thio)acetate
Property Insights of Butyl (((dimethylamino)thioxomethyl)thio)acetate
The XLogP value of 1.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (((dimethylamino)thioxomethyl)thio)acetate. With a topological polar surface area (TPSA) of 29.54 Ų, Butyl (((dimethylamino)thioxomethyl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (((dimethylamino)thioxomethyl)thio)acetate 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 Butyl (((dimethylamino)thioxomethyl)thio)acetate?
The CAS number of Butyl (((dimethylamino)thioxomethyl)thio)acetate is 70031-49-1.
What is the molecular formula of Butyl (((dimethylamino)thioxomethyl)thio)acetate?
The molecular formula of Butyl (((dimethylamino)thioxomethyl)thio)acetate is C9H17NO2S2.
What is the molecular weight of Butyl (((dimethylamino)thioxomethyl)thio)acetate?
The molecular weight of Butyl (((dimethylamino)thioxomethyl)thio)acetate is 235.07 g/mol.
Where can I buy Butyl (((dimethylamino)thioxomethyl)thio)acetate?
You can request a quote for Butyl (((dimethylamino)thioxomethyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (((dimethylamino)thioxomethyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (((dimethylamino)thioxomethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.