Naphthalene, 1,8-mercaptomethyl-
TL;DR: Naphthalene, 1,8-mercaptomethyl- (CAS 60948-99-4) 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.
[8-(sulfanylmethyl)naphthalen-1-yl]methanethiol
Also Known As: Naphthalene, 1,8-mercaptomethyl-, 1,8-Naphthalenedimethanethiol, Naphthalene,1,8-mercaptomethyl, 1,8-naphthylenedimethanethiol, 1,8-naphthylenebismethanethiol
| Molecular Formula | C12H12S2 |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 3.3 |
| 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 | 163.0 |
Chemical Identifiers
| CAS Number | 60948-99-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)CS)C(=CC=C2)CS |
| InChIKey | JKNPWHHGFOPCTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalene, 1,8-mercaptomethyl- (CAS 60948-99-4), with molecular formula C12H12S2 and molecular weight 220.04 g/mol. IUPAC: [8-(sulfanylmethyl)naphthalen-1-yl]methanethiol.
Chemical Property Profile of Naphthalene, 1,8-mercaptomethyl-
Property Insights of Naphthalene, 1,8-mercaptomethyl-
The XLogP value of 3.3 indicates that Naphthalene, 1,8-mercaptomethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, Naphthalene, 1,8-mercaptomethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalene, 1,8-mercaptomethyl- 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 Naphthalene, 1,8-mercaptomethyl-?
The CAS number of Naphthalene, 1,8-mercaptomethyl- is 60948-99-4.
What is the molecular formula of Naphthalene, 1,8-mercaptomethyl-?
The molecular formula of Naphthalene, 1,8-mercaptomethyl- is C12H12S2.
What is the molecular weight of Naphthalene, 1,8-mercaptomethyl-?
The molecular weight of Naphthalene, 1,8-mercaptomethyl- is 220.04 g/mol.
Where can I buy Naphthalene, 1,8-mercaptomethyl-?
You can request a quote for Naphthalene, 1,8-mercaptomethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalene, 1,8-mercaptomethyl-?
Yes, KEHONG BIO provides custom synthesis services for Naphthalene, 1,8-mercaptomethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.