Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate
TL;DR: Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate (CAS 90344-91-5) is a chemical compound with molecular formula C8H10O6S and molecular weight 234.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1,1-dioxothietan-3-ylidene)propanedioate
Also Known As: dimethyl 2-(1,1-dioxothietan-3-ylidene)propanedioate, Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate, RefChem:338335
| Molecular Formula | C8H10O6S |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0198 |
| Heavy Atoms | 15 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 90344-91-5 |
|---|---|
| SMILES | COC(=O)C(=C1CS(=O)(=O)C1)C(=O)OC |
| InChIKey | JIJHQLXARXABKH-UHFFFAOYSA-N |
Product Overview
Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate (CAS 90344-91-5), with molecular formula C8H10O6S and molecular weight 234.02 g/mol. IUPAC: dimethyl 2-(1,1-dioxothietan-3-ylidene)propanedioate.
Chemical Property Profile of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate
Property Insights of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate
The XLogP value of -1.0 indicates that Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate. Following Lipinski's Rule of Five, Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate 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 (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate?
The CAS number of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate is 90344-91-5.
What is the molecular formula of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate?
The molecular formula of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate is C8H10O6S.
What is the molecular weight of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate?
The molecular weight of Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate is 234.02 g/mol.
Where can I buy Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate?
You can request a quote for Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (1,1-dioxo-1lambda~6~-thietan-3-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.