Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester
TL;DR: Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester (CAS 91987-94-9) is a chemical compound with molecular formula C4H10NO2PS and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aziridin-1-yl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Dimethyl thionophosphoraziridine, Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester, aziridin-1-yl-dimethoxy-sulfanylidene-, Phosphonothioic acid, O,O-dimethyl ester, O,O-dimethyl aziridin-1-ylphosphonothioate
| Molecular Formula | C4H10NO2PS |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.01698 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 91987-94-9 |
|---|---|
| SMILES | COP(=S)(N1CC1)OC |
| InChIKey | YIIMHTJKYQSQPA-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester (CAS 91987-94-9), with molecular formula C4H10NO2PS and molecular weight 167.02 g/mol. IUPAC: aziridin-1-yl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester
Property Insights of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester. With a topological polar surface area (TPSA) of 53.6 Ų, Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester has 0 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 Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester?
The CAS number of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester is 91987-94-9.
What is the molecular formula of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester?
The molecular formula of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester is C4H10NO2PS.
What is the molecular weight of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester?
The molecular weight of Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester is 167.02 g/mol.
Where can I buy Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester?
You can request a quote for Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, 1-aziridinyl-, O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.