Dimethyl 2-(bis(methylthio)methylene)malonate
TL;DR: Dimethyl 2-(bis(methylthio)methylene)malonate (CAS 19607-08-0) is a chemical compound with molecular formula C8H12O4S2 and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[bis(methylsulfanyl)methylidene]propanedioate
Also Known As: Dimethyl 2-(bis(methylthio)methylene)malonate, Dimethyl 2-[di(methylthio)methylidene]malonate, 1,3-dimethyl 2-[bis(methylsulfanyl)methylidene]propanedioate, dimethyl 2-[bis(methylsulfanyl)methylidene]propanedioate, Dimethyl [bis(methylthio)methylene]malonate
| Molecular Formula | C8H12O4S2 |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.0177 |
| Heavy Atoms | 14 |
| Complexity | 236.0669 |
Chemical Identifiers
| CAS Number | 19607-08-0 |
|---|---|
| SMILES | COC(=O)C(=C(SC)SC)C(=O)OC |
Product Overview
Dimethyl 2-(bis(methylthio)methylene)malonate (CAS 19607-08-0), with molecular formula C8H12O4S2 and molecular weight 236.02 g/mol. IUPAC: dimethyl 2-[bis(methylsulfanyl)methylidene]propanedioate.
Chemical Property Profile of Dimethyl 2-(bis(methylthio)methylene)malonate
Property Insights of Dimethyl 2-(bis(methylthio)methylene)malonate
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(bis(methylthio)methylene)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-(bis(methylthio)methylene)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(bis(methylthio)methylene)malonate 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
Frequently Asked Questions
What is the CAS number of Dimethyl 2-(bis(methylthio)methylene)malonate?
The CAS number of Dimethyl 2-(bis(methylthio)methylene)malonate is 19607-08-0.
What is the molecular formula of Dimethyl 2-(bis(methylthio)methylene)malonate?
The molecular formula of Dimethyl 2-(bis(methylthio)methylene)malonate is C8H12O4S2.
What is the molecular weight of Dimethyl 2-(bis(methylthio)methylene)malonate?
The molecular weight of Dimethyl 2-(bis(methylthio)methylene)malonate is 236.02 g/mol.
Where can I buy Dimethyl 2-(bis(methylthio)methylene)malonate?
You can request a quote for Dimethyl 2-(bis(methylthio)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(bis(methylthio)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(bis(methylthio)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.