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Methyl [(trichloromethyl)disulfanyl]acetate
TL;DR: Methyl [(trichloromethyl)disulfanyl]acetate (CAS 65540-50-3) is a chemical compound with molecular formula C4H5Cl3O2S2 and molecular weight 253.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(trichloromethyldisulfanyl)acetate
Also Known As: NCIOpen2_007087, methyl[(trichloromethyl)disulfanyl]acetate, Methyl [(trichloromethyl)disulfanyl]acetate, methyl 2-(trichloromethyldisulfanyl)acetate, methyl 2-((trichloromethyl)disulfanyl)acetate
| Molecular Formula | C4H5Cl3O2S2 |
|---|---|
| Molecular Weight | 253.88 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.87965 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 65540-50-3 |
|---|---|
| SMILES | COC(=O)CSSC(Cl)(Cl)Cl |
| InChIKey | HZISRHXQFHSXDY-UHFFFAOYSA-N |
Product Overview
Methyl [(trichloromethyl)disulfanyl]acetate (CAS 65540-50-3), with molecular formula C4H5Cl3O2S2 and molecular weight 253.88 g/mol. IUPAC: methyl 2-(trichloromethyldisulfanyl)acetate.
Chemical Property Profile of Methyl [(trichloromethyl)disulfanyl]acetate
Property Insights of Methyl [(trichloromethyl)disulfanyl]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(trichloromethyl)disulfanyl]acetate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(trichloromethyl)disulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(trichloromethyl)disulfanyl]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 Methyl [(trichloromethyl)disulfanyl]acetate?
The CAS number of Methyl [(trichloromethyl)disulfanyl]acetate is 65540-50-3.
What is the molecular formula of Methyl [(trichloromethyl)disulfanyl]acetate?
The molecular formula of Methyl [(trichloromethyl)disulfanyl]acetate is C4H5Cl3O2S2.
What is the molecular weight of Methyl [(trichloromethyl)disulfanyl]acetate?
The molecular weight of Methyl [(trichloromethyl)disulfanyl]acetate is 253.88 g/mol.
Where can I buy Methyl [(trichloromethyl)disulfanyl]acetate?
You can request a quote for Methyl [(trichloromethyl)disulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(trichloromethyl)disulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(trichloromethyl)disulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.