乐果羧酸
TL;DR: 乐果羧酸 (CAS 1113-01-5) is a chemical compound with molecular formula C4H9O4PS2 and molecular weight 215.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乐果羧酸
2-dimethoxyphosphinothioylsulfanylacetic acid
Also Known As: Dimethoate carboxylic acid, Carboxy derivative of dimethoate, Carboxyderivativeofdimethoate, 2-dimethoxyphosphinothioylsulfanylacetic acid, Phosphorodithioic acid, O,O-dimethyl S-carboxymethyl ester
| Molecular Formula | C4H9O4PS2 |
|---|---|
| Molecular Weight | 215.97 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.96799 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 1113-01-5 |
|---|---|
| SMILES | COP(=S)(OC)SCC(=O)O |
| InChIKey | OGCAJUKWNJKZFV-UHFFFAOYSA-N |
Product Overview
乐果羧酸 (CAS 1113-01-5), with molecular formula C4H9O4PS2 and molecular weight 215.97 g/mol. IUPAC: 2-dimethoxyphosphinothioylsulfanylacetic acid.
Chemical Property Profile of 乐果羧酸
Property Insights of 乐果羧酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乐果羧酸. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乐果羧酸. Following Lipinski's Rule of Five, 乐果羧酸 has 1 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 乐果羧酸?
The CAS number of 乐果羧酸 is 1113-01-5.
What is the molecular formula of 乐果羧酸?
The molecular formula of 乐果羧酸 is C4H9O4PS2.
What is the molecular weight of 乐果羧酸?
The molecular weight of 乐果羧酸 is 215.97 g/mol.
Where can I buy 乐果羧酸?
You can request a quote for 乐果羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乐果羧酸?
Yes, KEHONG BIO provides custom synthesis services for 乐果羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.