O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate
TL;DR: O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate (CAS 5175-87-1) is a chemical compound with molecular formula C6H12NO2PS3 and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-dimethoxyphosphinothioyl-1,3-dithian-2-imine
Also Known As: American cyanamid CL-47460, ENT 27,170, AC 47460, O,O-Dimethyl 1,3-dithian-2-ylidenephosphoramidothioate, N-dimethoxyphosphinothioyl-1,3-dithian-2-imine
| Molecular Formula | C6H12NO2PS3 |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.97678 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5175-87-1 |
|---|---|
| SMILES | COP(=S)(N=C1SCCCS1)OC |
| InChIKey | NLPUKQAMTATOSN-UHFFFAOYSA-N |
Product Overview
O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate (CAS 5175-87-1), with molecular formula C6H12NO2PS3 and molecular weight 256.98 g/mol. IUPAC: N-dimethoxyphosphinothioyl-1,3-dithian-2-imine.
Chemical Property Profile of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate
Property Insights of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate
The XLogP value of 3.2 indicates that O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate. Following Lipinski's Rule of Five, O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate 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 N-1,3-dithian-2-ylidenephosphoramidothioate?
The CAS number of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate is 5175-87-1.
What is the molecular formula of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate?
The molecular formula of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate is C6H12NO2PS3.
What is the molecular weight of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate?
The molecular weight of O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate is 256.98 g/mol.
Where can I buy O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate?
You can request a quote for O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate 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 N-1,3-dithian-2-ylidenephosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Dimethyl N-1,3-dithian-2-ylidenephosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.