6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate
TL;DR: 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate (CAS 41219-30-1) is a chemical compound with molecular formula C11H14ClO2PS3 and molecular weight 339.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate, S-(6-Chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate, Phosphorodithioic acid, S-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl ester, (6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-dimethoxy, (6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-dimethoxy-sulfanylidene-
| Molecular Formula | C11H14ClO2PS3 |
|---|---|
| Molecular Weight | 339.96 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.95822 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 41219-30-1 |
|---|---|
| SMILES | COP(=S)(OC)SC1CCSC2=C1C=C(C=C2)Cl |
| InChIKey | UHLKOAKPRBMJRU-UHFFFAOYSA-N |
Product Overview
6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate (CAS 41219-30-1), with molecular formula C11H14ClO2PS3 and molecular weight 339.96 g/mol. IUPAC: (6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate
Property Insights of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate
The XLogP value of 4.4 indicates that 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate. Following Lipinski's Rule of Five, 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate 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 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate?
The CAS number of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate is 41219-30-1.
What is the molecular formula of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate?
The molecular formula of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate is C11H14ClO2PS3.
What is the molecular weight of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate?
The molecular weight of 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate is 339.96 g/mol.
Where can I buy 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate?
You can request a quote for 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-thiochromanyl O,O-dimethyl dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.