1-Naphthalenecarbodithioic acid, propyl ester
TL;DR: 1-Naphthalenecarbodithioic acid, propyl ester (CAS 35972-83-9) is a chemical compound with molecular formula C14H14S2 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl naphthalene-1-carbodithioate
Also Known As: propyl naphthalene-1-carbodithioate, Propyl 1-naphthalenecarbodithioate, 1-Naphthalenecarbodithioicacidpropylester, Propyl 1-naphthalenecarbodithioate #, 1-Naphthalenecarbodithioic acid, propyl ester
| Molecular Formula | C14H14S2 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0537 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 35972-83-9 |
|---|---|
| SMILES | CCCSC(=S)C1=CC=CC2=CC=CC=C21 |
| InChIKey | ROXPDZAWGRHRBB-UHFFFAOYSA-N |
Product Overview
1-Naphthalenecarbodithioic acid, propyl ester (CAS 35972-83-9), with molecular formula C14H14S2 and molecular weight 246.05 g/mol. IUPAC: propyl naphthalene-1-carbodithioate.
Chemical Property Profile of 1-Naphthalenecarbodithioic acid, propyl ester
Property Insights of 1-Naphthalenecarbodithioic acid, propyl ester
The XLogP value of 5.1 indicates that 1-Naphthalenecarbodithioic 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, 1-Naphthalenecarbodithioic acid, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbodithioic acid, propyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Naphthalenecarbodithioic acid, propyl ester?
The CAS number of 1-Naphthalenecarbodithioic acid, propyl ester is 35972-83-9.
What is the molecular formula of 1-Naphthalenecarbodithioic acid, propyl ester?
The molecular formula of 1-Naphthalenecarbodithioic acid, propyl ester is C14H14S2.
What is the molecular weight of 1-Naphthalenecarbodithioic acid, propyl ester?
The molecular weight of 1-Naphthalenecarbodithioic acid, propyl ester is 246.05 g/mol.
Where can I buy 1-Naphthalenecarbodithioic acid, propyl ester?
You can request a quote for 1-Naphthalenecarbodithioic 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 1-Naphthalenecarbodithioic acid, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarbodithioic acid, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.