1,4-Naphthalenedimethanethiol
TL;DR: 1,4-Naphthalenedimethanethiol (CAS 59045-58-8) is a chemical compound with molecular formula C12H12S2 and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(sulfanylmethyl)naphthalen-1-yl]methanethiol
Also Known As: ghl.PD_Mitscher_leg0.112, 1,4-Naphthalenedimethanethiol, Naphthalene-1,4-bismethanethiol, 1,4-Naphthalenebis(methanethiol), Naphthalene-1,4-bis(methanethiol)
| Molecular Formula | C12H12S2 |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03804 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 59045-58-8 |
|---|---|
| SMILES | C1=CC=C2C(=CC=C(C2=C1)CS)CS |
| InChIKey | VNEORWMTZORVHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedimethanethiol (CAS 59045-58-8), with molecular formula C12H12S2 and molecular weight 220.04 g/mol. IUPAC: [4-(sulfanylmethyl)naphthalen-1-yl]methanethiol.
Chemical Property Profile of 1,4-Naphthalenedimethanethiol
Property Insights of 1,4-Naphthalenedimethanethiol
The XLogP value of 3.8 indicates that 1,4-Naphthalenedimethanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, 1,4-Naphthalenedimethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedimethanethiol has 2 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 1,4-Naphthalenedimethanethiol?
The CAS number of 1,4-Naphthalenedimethanethiol is 59045-58-8.
What is the molecular formula of 1,4-Naphthalenedimethanethiol?
The molecular formula of 1,4-Naphthalenedimethanethiol is C12H12S2.
What is the molecular weight of 1,4-Naphthalenedimethanethiol?
The molecular weight of 1,4-Naphthalenedimethanethiol is 220.04 g/mol.
Where can I buy 1,4-Naphthalenedimethanethiol?
You can request a quote for 1,4-Naphthalenedimethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedimethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedimethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.