Dimethyl 1,3-dithian-2-ylidenephosphoramidate
TL;DR: Dimethyl 1,3-dithian-2-ylidenephosphoramidate (CAS 941-38-8) is a chemical compound with molecular formula C6H12NO3PS2 and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-dimethoxyphosphoryl-1,3-dithian-2-imine
Also Known As: American cyanamid CL-52107, ENT 27,172, N- amidophosphoricaciddimethylester, Dimethyl 1,3-dithian-2-ylidenephosphoramidate, AC 52107
| Molecular Formula | C6H12NO3PS2 |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 2.6134 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.99962 |
| Heavy Atoms | 13 |
| Complexity | 230.03386 |
Chemical Identifiers
| CAS Number | 941-38-8 |
|---|---|
| SMILES | COP(=O)(N=C1SCCCS1)OC |
Product Overview
Dimethyl 1,3-dithian-2-ylidenephosphoramidate (CAS 941-38-8), with molecular formula C6H12NO3PS2 and molecular weight 241.00 g/mol. IUPAC: N-dimethoxyphosphoryl-1,3-dithian-2-imine.
Chemical Property Profile of Dimethyl 1,3-dithian-2-ylidenephosphoramidate
Property Insights of Dimethyl 1,3-dithian-2-ylidenephosphoramidate
The XLogP value of 2.6134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,3-dithian-2-ylidenephosphoramidate. With a topological polar surface area (TPSA) of 47.89 Ų, Dimethyl 1,3-dithian-2-ylidenephosphoramidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 1,3-dithian-2-ylidenephosphoramidate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 1,3-dithian-2-ylidenephosphoramidate?
The CAS number of Dimethyl 1,3-dithian-2-ylidenephosphoramidate is 941-38-8.
What is the molecular formula of Dimethyl 1,3-dithian-2-ylidenephosphoramidate?
The molecular formula of Dimethyl 1,3-dithian-2-ylidenephosphoramidate is C6H12NO3PS2.
What is the molecular weight of Dimethyl 1,3-dithian-2-ylidenephosphoramidate?
The molecular weight of Dimethyl 1,3-dithian-2-ylidenephosphoramidate is 241.00 g/mol.
Where can I buy Dimethyl 1,3-dithian-2-ylidenephosphoramidate?
You can request a quote for Dimethyl 1,3-dithian-2-ylidenephosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,3-dithian-2-ylidenephosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,3-dithian-2-ylidenephosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.