S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate
TL;DR: S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate (CAS 1713-98-0) is a chemical compound with molecular formula C10H13Cl2OPS2 and molecular weight 313.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl-(4-chlorophenyl)sulfanyl-propoxy-sulfanylidene-λ5-phosphane
Also Known As: Stauffer B-10117, ENT 25,833, ENT 25833, S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate, B-10117
| Molecular Formula | C10H13Cl2OPS2 |
|---|---|
| Molecular Weight | 313.95 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.95224 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 1713-98-0 |
|---|---|
| SMILES | CCCOP(=S)(CCl)SC1=CC=C(C=C1)Cl |
| InChIKey | SBZAUEKBWDRPRQ-UHFFFAOYSA-N |
Product Overview
S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate (CAS 1713-98-0), with molecular formula C10H13Cl2OPS2 and molecular weight 313.95 g/mol. IUPAC: chloromethyl-(4-chlorophenyl)sulfanyl-propoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate
Property Insights of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate
The XLogP value of 5.4 indicates that S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate?
The CAS number of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate is 1713-98-0.
What is the molecular formula of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate?
The molecular formula of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate is C10H13Cl2OPS2.
What is the molecular weight of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate?
The molecular weight of S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate is 313.95 g/mol.
Where can I buy S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate?
You can request a quote for S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.