Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester
TL;DR: Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester (CAS 18729-79-8) is a chemical compound with molecular formula C12H15OPS3 and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophen-3-yloxy-methyl-propylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Mobil MC-327, ENT 27,372, o-1-benzothiophen-3-yl s-propyl methylphosphonodithioate, O-Benzo(B)thien-4-yl S-propyl methylphosphonodithioate, Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester
| Molecular Formula | C12H15OPS3 |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.00226 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 18729-79-8 |
|---|---|
| SMILES | CCCSP(=S)(C)OC1=CSC2=CC=CC=C21 |
| InChIKey | HVSSNEBKWQZFEX-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester (CAS 18729-79-8), with molecular formula C12H15OPS3 and molecular weight 302.00 g/mol. IUPAC: 1-benzothiophen-3-yloxy-methyl-propylsulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester
Property Insights of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester
The XLogP value of 5.3 indicates that Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester?
The CAS number of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester is 18729-79-8.
What is the molecular formula of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester?
The molecular formula of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester is C12H15OPS3.
What is the molecular weight of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester?
The molecular weight of Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester is 302.00 g/mol.
Where can I buy Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester?
You can request a quote for Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, methyl-, O-(benzo(b)thien-4-yl) S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.