benzenethiolate
TL;DR: benzenethiolate (CAS 386-56-1) is a chemical compound with molecular formula C9H20NO4PS and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-di(propan-2-yloxy)phosphorylsulfanyl-N-methylacetamide
Also Known As: benzenethiolate, 1-(2-hydroxyethoxy)-3-prop-2-enoxypropan-2-ol, O,O-Di-isopropyl S-(N-methylcarbamoylmethyl) phosphorothiolate, Phosphorothioic acid, O,O-bis(1-methylethyl) S-(2-(methylamino)-2-oxoethyl) ester, 2-di(propan-2-yloxy)phosphorylsulfanyl-N-methylacetamide
| Molecular Formula | C9H20NO4PS |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.08505 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 386-56-1 |
|---|---|
| SMILES | CC(C)OP(=O)(OC(C)C)SCC(=O)NC |
| InChIKey | BPEGYJWDDYWPBE-UHFFFAOYSA-N |
Product Overview
benzenethiolate (CAS 386-56-1), with molecular formula C9H20NO4PS and molecular weight 269.09 g/mol. IUPAC: 2-di(propan-2-yloxy)phosphorylsulfanyl-N-methylacetamide.
Chemical Property Profile of benzenethiolate
Property Insights of benzenethiolate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzenethiolate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for benzenethiolate. Following Lipinski's Rule of Five, benzenethiolate has 1 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 benzenethiolate?
The CAS number of benzenethiolate is 386-56-1.
What is the molecular formula of benzenethiolate?
The molecular formula of benzenethiolate is C9H20NO4PS.
What is the molecular weight of benzenethiolate?
The molecular weight of benzenethiolate is 269.09 g/mol.
Where can I buy benzenethiolate?
You can request a quote for benzenethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzenethiolate?
Yes, KEHONG BIO provides custom synthesis services for benzenethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.