Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester
TL;DR: Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester (CAS 75744-77-3) is a chemical compound with molecular formula C10H12N3O3PS2 and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
Also Known As: Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester, 3-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,2,3-benzotriazin-4-one, Phosphorodithioicacid,O,S-dimethylS-((4-oxo-1,2,3-benzotriazin-3 ester, 3-[(methoxy-methylsulfanylphosphoryl)sulfanylmethyl]-1,2,3-benzotriazin-4-one, O,S-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate
| Molecular Formula | C10H12N3O3PS2 |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.00577 |
| Heavy Atoms | 19 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 75744-77-3 |
|---|---|
| SMILES | COP(=O)(SC)SCN1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | XUEHYYIDFHQTHZ-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester (CAS 75744-77-3), with molecular formula C10H12N3O3PS2 and molecular weight 317.01 g/mol. IUPAC: 3-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester
Property Insights of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester has 0 hydrogen bond donor(s) and 7 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 Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester?
The CAS number of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester is 75744-77-3.
What is the molecular formula of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester?
The molecular formula of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester is C10H12N3O3PS2.
What is the molecular weight of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester?
The molecular weight of Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester is 317.01 g/mol.
Where can I buy Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester?
You can request a quote for Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.