O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate
TL;DR: O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate (CAS 14371-55-2) is a chemical compound with molecular formula C5H10NO3PS2 and molecular weight 226.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-dimethoxyphosphinothioyl-1,3-oxathiolan-2-imine
Also Known As: American cyanamid CL-52069, ENT 27,171, AC 52069, (E)-N-dimethoxyphosphinothioyl-1,3-oxathiolan-2-imine, O,O-Dimethyl 1,3-oxathiolan-2-ylidenephosphoramidothioate
| Molecular Formula | C5H10NO3PS2 |
|---|---|
| Molecular Weight | 226.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.98398 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 14371-55-2 |
|---|---|
| SMILES | COP(=S)(N=C1OCCS1)OC |
| InChIKey | ZXSAZCMRKXDRJV-UHFFFAOYSA-N |
Product Overview
O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate (CAS 14371-55-2), with molecular formula C5H10NO3PS2 and molecular weight 226.98 g/mol. IUPAC: N-dimethoxyphosphinothioyl-1,3-oxathiolan-2-imine.
Chemical Property Profile of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate
Property Insights of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate. Following Lipinski's Rule of Five, O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate has 0 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 O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate?
The CAS number of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate is 14371-55-2.
What is the molecular formula of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate?
The molecular formula of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate is C5H10NO3PS2.
What is the molecular weight of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate?
The molecular weight of O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate is 226.98 g/mol.
Where can I buy O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate?
You can request a quote for O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Dimethyl (1,3-oxathiolan-2-ylidene)phosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.