9,10-Anthracenedimethanethiol
TL;DR: 9,10-Anthracenedimethanethiol (CAS 59045-59-9) is a chemical compound with molecular formula C16H14S2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-(sulfanylmethyl)anthracen-9-yl]methanethiol
Also Known As: 9,10-Anthracenedimethanethiol, Anthracene-9,10-bis(methanethiol), [10-(sulfanylmethyl)anthracen-9-yl]methanethiol, J1.991.140C, [10-(Sulfanylmethyl)-9-anthryl]methyl hydrosulfide #
| Molecular Formula | C16H14S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.05368 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 59045-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CS)CS |
| InChIKey | QULSCWWJJFURRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Anthracenedimethanethiol (CAS 59045-59-9), with molecular formula C16H14S2 and molecular weight 270.05 g/mol. IUPAC: [10-(sulfanylmethyl)anthracen-9-yl]methanethiol.
Chemical Property Profile of 9,10-Anthracenedimethanethiol
Property Insights of 9,10-Anthracenedimethanethiol
The XLogP value of 5.1 indicates that 9,10-Anthracenedimethanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, 9,10-Anthracenedimethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Anthracenedimethanethiol has 2 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 9,10-Anthracenedimethanethiol?
The CAS number of 9,10-Anthracenedimethanethiol is 59045-59-9.
What is the molecular formula of 9,10-Anthracenedimethanethiol?
The molecular formula of 9,10-Anthracenedimethanethiol is C16H14S2.
What is the molecular weight of 9,10-Anthracenedimethanethiol?
The molecular weight of 9,10-Anthracenedimethanethiol is 270.05 g/mol.
Where can I buy 9,10-Anthracenedimethanethiol?
You can request a quote for 9,10-Anthracenedimethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedimethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedimethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.