1-Naphthalenecarbodithioic acid, methyl ester
TL;DR: 1-Naphthalenecarbodithioic acid, methyl ester (CAS 5925-54-2) is a chemical compound with molecular formula C12H10S2 and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl naphthalene-1-carbodithioate
Also Known As: methyl naphthalene-1-carbodithioate, methyl 1-naphthalenecarbodithioate, 1-Naphthalenecarbodithioic acid, methyl ester, 1-Naphthalenecarbodithioic acid,methyl ester, Methylsulfanyl-naphthalen-1-yl-methanethione
| Molecular Formula | C12H10S2 |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 3.8783 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0224 |
| Heavy Atoms | 14 |
| Complexity | 469.21036 |
Chemical Identifiers
| CAS Number | 5925-54-2 |
|---|---|
| SMILES | CSC(=S)C1=CC=CC2=CC=CC=C21 |
Product Overview
1-Naphthalenecarbodithioic acid, methyl ester (CAS 5925-54-2), with molecular formula C12H10S2 and molecular weight 218.02 g/mol. IUPAC: methyl naphthalene-1-carbodithioate.
Chemical Property Profile of 1-Naphthalenecarbodithioic acid, methyl ester
Property Insights of 1-Naphthalenecarbodithioic acid, methyl ester
The XLogP value of 3.8783 indicates that 1-Naphthalenecarbodithioic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Naphthalenecarbodithioic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbodithioic acid, methyl 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 1-Naphthalenecarbodithioic acid, methyl ester?
The CAS number of 1-Naphthalenecarbodithioic acid, methyl ester is 5925-54-2.
What is the molecular formula of 1-Naphthalenecarbodithioic acid, methyl ester?
The molecular formula of 1-Naphthalenecarbodithioic acid, methyl ester is C12H10S2.
What is the molecular weight of 1-Naphthalenecarbodithioic acid, methyl ester?
The molecular weight of 1-Naphthalenecarbodithioic acid, methyl ester is 218.02 g/mol.
Where can I buy 1-Naphthalenecarbodithioic acid, methyl ester?
You can request a quote for 1-Naphthalenecarbodithioic acid, methyl 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, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarbodithioic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.