O-Ethyl S-(phenylmethyl) phosphoramidothioate
TL;DR: O-Ethyl S-(phenylmethyl) phosphoramidothioate (CAS 88873-94-3) is a chemical compound with molecular formula C9H14NO2PS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[amino(ethoxy)phosphoryl]sulfanylmethylbenzene
Also Known As: S-benzyl O-ethyl phosphoramidothioate, (amino-ethoxy-phosphoryl)sulfanylmethylbenzene, [amino(ethoxy)phosphoryl]sulfanylmethylbenzene, O-Ethyl S-(phenylmethyl) phosphoramidothioate, Phosphoramidothioic acid, O-ethyl S-(phenylmethyl) ester
| Molecular Formula | C9H14NO2PS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.0483 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 88873-94-3 |
|---|---|
| SMILES | CCOP(=O)(N)SCC1=CC=CC=C1 |
| InChIKey | QDJFRTOYWSVKCK-UHFFFAOYSA-N |
Product Overview
O-Ethyl S-(phenylmethyl) phosphoramidothioate (CAS 88873-94-3), with molecular formula C9H14NO2PS and molecular weight 231.05 g/mol. IUPAC: [amino(ethoxy)phosphoryl]sulfanylmethylbenzene.
Chemical Property Profile of O-Ethyl S-(phenylmethyl) phosphoramidothioate
Property Insights of O-Ethyl S-(phenylmethyl) phosphoramidothioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl S-(phenylmethyl) phosphoramidothioate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl S-(phenylmethyl) phosphoramidothioate. Following Lipinski's Rule of Five, O-Ethyl S-(phenylmethyl) phosphoramidothioate has 1 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-Ethyl S-(phenylmethyl) phosphoramidothioate?
The CAS number of O-Ethyl S-(phenylmethyl) phosphoramidothioate is 88873-94-3.
What is the molecular formula of O-Ethyl S-(phenylmethyl) phosphoramidothioate?
The molecular formula of O-Ethyl S-(phenylmethyl) phosphoramidothioate is C9H14NO2PS.
What is the molecular weight of O-Ethyl S-(phenylmethyl) phosphoramidothioate?
The molecular weight of O-Ethyl S-(phenylmethyl) phosphoramidothioate is 231.05 g/mol.
Where can I buy O-Ethyl S-(phenylmethyl) phosphoramidothioate?
You can request a quote for O-Ethyl S-(phenylmethyl) phosphoramidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl S-(phenylmethyl) phosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-(phenylmethyl) phosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.