Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester structure

Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester

TL;DR: Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester (CAS 41961-73-3) is a chemical compound with molecular formula C7H10ClO2PS3 and molecular weight 287.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

(5-chlorothiophen-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane

Also Known As: S-(5-Chloro-2-thenyl) O,O-dimethyl phosphorodithioate, Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester, (5-chlorothiophen-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-, Phosphorodithioic acid, S-(5-chloro-2-thenyl) O,O-dimethyl ester, S-[(5-Chlorothiophen-2-yl)methyl] O,O-dimethyl phosphorodithioate

CAS: 41961-73-3
Molecular Formula C7H10ClO2PS3
Molecular Weight 287.93 g/mol
LogP 3.8
Topological Polar Surface Area 104.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 287.9269
Heavy Atoms 14
Complexity 221.0

Chemical Identifiers

CAS Number 41961-73-3
SMILES COP(=S)(OC)SCC1=CC=C(S1)Cl
InChIKey QGOFCMVZBMHGHR-UHFFFAOYSA-N

Product Overview

Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester (CAS 41961-73-3), with molecular formula C7H10ClO2PS3 and molecular weight 287.93 g/mol. IUPAC: (5-chlorothiophen-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester

XLogP
3.8
TPSA (Topological Polar Surface Area)
104.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
14
Complexity
221.0
Exact Mass
287.9269
Monoisotopic Mass
287.9269
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester

The XLogP value of 3.8 indicates that Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester 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

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester?

The CAS number of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester is 41961-73-3.

What is the molecular formula of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester?

The molecular formula of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester is C7H10ClO2PS3.

What is the molecular weight of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester?

The molecular weight of Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester is 287.93 g/mol.

Where can I buy Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester?

You can request a quote for Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester?

Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-[(5-chloro-2-thienyl)methyl] O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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