1,5-Naphthalenedimethanethiol
TL;DR: 1,5-Naphthalenedimethanethiol (CAS 54835-55-1) 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.
[5-(sulfanylmethyl)naphthalen-1-yl]methanethiol
Also Known As: 1,5-Naphthalenedimethanethiol, 1,5-Naphthalenebis(methanethiol), Naphthalene-1,5-bis(methanethiol), [5-(sulfanylmethyl)naphthalen-1-yl]methanethiol, J2.537.841E
| 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 | 54835-55-1 |
|---|---|
| SMILES | C1=CC(=C2C=CC=C(C2=C1)CS)CS |
| InChIKey | ZUFVVTSPICDXIJ-UHFFFAOYSA-N |
Product Overview
1,5-Naphthalenedimethanethiol (CAS 54835-55-1), with molecular formula C12H12S2 and molecular weight 220.04 g/mol. IUPAC: [5-(sulfanylmethyl)naphthalen-1-yl]methanethiol.
Chemical Property Profile of 1,5-Naphthalenedimethanethiol
Property Insights of 1,5-Naphthalenedimethanethiol
The XLogP value of 3.8 indicates that 1,5-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, 1,5-Naphthalenedimethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-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 1,5-Naphthalenedimethanethiol?
The CAS number of 1,5-Naphthalenedimethanethiol is 54835-55-1.
What is the molecular formula of 1,5-Naphthalenedimethanethiol?
The molecular formula of 1,5-Naphthalenedimethanethiol is C12H12S2.
What is the molecular weight of 1,5-Naphthalenedimethanethiol?
The molecular weight of 1,5-Naphthalenedimethanethiol is 220.04 g/mol.
Where can I buy 1,5-Naphthalenedimethanethiol?
You can request a quote for 1,5-Naphthalenedimethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Naphthalenedimethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Naphthalenedimethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.