o-Methyl phosphorodiamidothioate
TL;DR: o-Methyl phosphorodiamidothioate (CAS 68453-64-5) is a chemical compound with molecular formula CH7N2OPS and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diaminophosphinothioyloxymethane
Also Known As: o-methyl phosphorodiamidothioate, diaminophosphinothioyloxymethane, Thiophosphordiamide,o-methyl ester, Thiophosphordiamide, o-methyl ester, RefChem:366488
| Molecular Formula | CH7N2OPS |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.00167 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 68453-64-5 |
|---|---|
| SMILES | COP(=S)(N)N |
| InChIKey | XEHPPVJAARCHPS-UHFFFAOYSA-N |
Product Overview
o-Methyl phosphorodiamidothioate (CAS 68453-64-5), with molecular formula CH7N2OPS and molecular weight 126.00 g/mol. IUPAC: diaminophosphinothioyloxymethane.
Chemical Property Profile of o-Methyl phosphorodiamidothioate
Property Insights of o-Methyl phosphorodiamidothioate
The XLogP value of -0.3 indicates that o-Methyl phosphorodiamidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Methyl phosphorodiamidothioate. Following Lipinski's Rule of Five, o-Methyl phosphorodiamidothioate has 2 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 o-Methyl phosphorodiamidothioate?
The CAS number of o-Methyl phosphorodiamidothioate is 68453-64-5.
What is the molecular formula of o-Methyl phosphorodiamidothioate?
The molecular formula of o-Methyl phosphorodiamidothioate is CH7N2OPS.
What is the molecular weight of o-Methyl phosphorodiamidothioate?
The molecular weight of o-Methyl phosphorodiamidothioate is 126.00 g/mol.
Where can I buy o-Methyl phosphorodiamidothioate?
You can request a quote for o-Methyl phosphorodiamidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Methyl phosphorodiamidothioate?
Yes, KEHONG BIO provides custom synthesis services for o-Methyl phosphorodiamidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.