S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate
TL;DR: S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate (CAS 41219-25-4) is a chemical compound with molecular formula C11H15O2PS3 and molecular weight 306.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-thiochromen-4-ylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: 4-Thiochromanyl-O,O-dimethyl dithiophosphate, S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate, Phosphorodithioic acid, S-(3,4-dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl ester, 3,4-dihydro-2H-thiochromen-4-ylsulfanyl-dimethoxy-sulfanylidene-, RefChem:1098222
| Molecular Formula | C11H15O2PS3 |
|---|---|
| Molecular Weight | 306.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.9972 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 41219-25-4 |
|---|---|
| SMILES | COP(=S)(OC)SC1CCSC2=CC=CC=C12 |
| InChIKey | MZRQXRJEBTWYFB-UHFFFAOYSA-N |
Product Overview
S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate (CAS 41219-25-4), with molecular formula C11H15O2PS3 and molecular weight 306.00 g/mol. IUPAC: 3,4-dihydro-2H-thiochromen-4-ylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate
Property Insights of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate
The XLogP value of 3.8 indicates that S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate 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 S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate. Following Lipinski's Rule of Five, S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate 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 S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate?
The CAS number of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate is 41219-25-4.
What is the molecular formula of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate?
The molecular formula of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate is C11H15O2PS3.
What is the molecular weight of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate?
The molecular weight of S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate is 306.00 g/mol.
Where can I buy S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate?
You can request a quote for S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3,4-Dihydro-2H-1-benzothiopyran-4-yl) O,O-dimethyl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.