Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester
TL;DR: Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester (CAS 30978-49-5) is a chemical compound with molecular formula C8H16ClO2PS2 and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-3-chlorobut-2-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester, [(Z)-3-chlorobut-2-enyl]sulfanyl-diethoxy-sulfanylidene-, RefChem:1095452, BRN 1818902
| Molecular Formula | C8H16ClO2PS2 |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 4.1597 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.0018 |
| Heavy Atoms | 14 |
| Complexity | 219.38116 |
Chemical Identifiers
| CAS Number | 30978-49-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC/C=C(/C)\Cl |
Product Overview
Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester (CAS 30978-49-5), with molecular formula C8H16ClO2PS2 and molecular weight 274.00 g/mol. IUPAC: [(Z)-3-chlorobut-2-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester
Property Insights of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester
The XLogP value of 4.1597 indicates that Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester?
The CAS number of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester is 30978-49-5.
What is the molecular formula of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester?
The molecular formula of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester is C8H16ClO2PS2.
What is the molecular weight of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester?
The molecular weight of Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester is 274.00 g/mol.
Where can I buy Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester?
You can request a quote for Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl 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-(3-chloro-2-butenyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-(3-chloro-2-butenyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.