Benzenecarbodithioic acid, propyl ester
TL;DR: Benzenecarbodithioic acid, propyl ester (CAS 27249-63-4) is a chemical compound with molecular formula C10H12S2 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl benzenecarbodithioate
Also Known As: Propyl dithiobenzoate, Propyl benzenecarbodithioate, propyl dithio benzoate, Benzenecarbodithioic acid, propyl ester, Dithiobenzoicacidpropylester
| Molecular Formula | C10H12S2 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.03804 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 27249-63-4 |
|---|---|
| SMILES | CCCSC(=S)C1=CC=CC=C1 |
| InChIKey | IRIVASWWWGVFNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarbodithioic acid, propyl ester (CAS 27249-63-4), with molecular formula C10H12S2 and molecular weight 196.04 g/mol. IUPAC: propyl benzenecarbodithioate.
Chemical Property Profile of Benzenecarbodithioic acid, propyl ester
Property Insights of Benzenecarbodithioic acid, propyl ester
The XLogP value of 3.8 indicates that Benzenecarbodithioic acid, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Benzenecarbodithioic acid, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbodithioic acid, propyl ester has 0 hydrogen bond donor(s) and 2 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 Benzenecarbodithioic acid, propyl ester?
The CAS number of Benzenecarbodithioic acid, propyl ester is 27249-63-4.
What is the molecular formula of Benzenecarbodithioic acid, propyl ester?
The molecular formula of Benzenecarbodithioic acid, propyl ester is C10H12S2.
What is the molecular weight of Benzenecarbodithioic acid, propyl ester?
The molecular weight of Benzenecarbodithioic acid, propyl ester is 196.04 g/mol.
Where can I buy Benzenecarbodithioic acid, propyl ester?
You can request a quote for Benzenecarbodithioic acid, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbodithioic acid, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbodithioic acid, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.