Methyl trichlorothioacrylate
TL;DR: Methyl trichlorothioacrylate (CAS 76619-91-5) is a chemical compound with molecular formula C4H3Cl3OS and molecular weight 203.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl 2,3,3-trichloroprop-2-enethioate
Also Known As: Methyl trichlorothioacrylate, O-methyl 2,3,3-trichloroprop-2-enethioate, O-methyl 2,3,3-trichloro-2-propenethioate, 2,3,3-trichloro-1-methoxy-prop-2-ene-1-thione, 2-Propenethioicacid, 2,3,3-trichloro-, O-methyl ester
| Molecular Formula | C4H3Cl3OS |
|---|---|
| Molecular Weight | 203.90 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.89702 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 76619-91-5 |
|---|---|
| SMILES | COC(=S)C(=C(Cl)Cl)Cl |
| InChIKey | WUEKZQWKWJIUPB-UHFFFAOYSA-N |
Product Overview
Methyl trichlorothioacrylate (CAS 76619-91-5), with molecular formula C4H3Cl3OS and molecular weight 203.90 g/mol. IUPAC: O-methyl 2,3,3-trichloroprop-2-enethioate.
Chemical Property Profile of Methyl trichlorothioacrylate
Property Insights of Methyl trichlorothioacrylate
The XLogP value of 3.3 indicates that Methyl trichlorothioacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Methyl trichlorothioacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl trichlorothioacrylate has 0 hydrogen bond donor(s) and 2 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 trichlorothioacrylate?
The CAS number of Methyl trichlorothioacrylate is 76619-91-5.
What is the molecular formula of Methyl trichlorothioacrylate?
The molecular formula of Methyl trichlorothioacrylate is C4H3Cl3OS.
What is the molecular weight of Methyl trichlorothioacrylate?
The molecular weight of Methyl trichlorothioacrylate is 203.90 g/mol.
Where can I buy Methyl trichlorothioacrylate?
You can request a quote for Methyl trichlorothioacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl trichlorothioacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl trichlorothioacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.