Methyl 2-naphthylmethyl sulfide
TL;DR: Methyl 2-naphthylmethyl sulfide (CAS 13183-61-4) is a chemical compound with molecular formula C12H12S and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylsulfanylmethyl)naphthalene
Also Known As: Methyl(naphthalen-2-ylmethyl)sulfane, 2-(methylsulfanylmethyl)naphthalene, methyl 2-naphthylmethyl sulfide, 2-[(methylsulfanyl)methyl]naphthalene, 2-Methylsulfanylmethyl-naphthalene
| Molecular Formula | C12H12S |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 3.7028 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06598 |
| Heavy Atoms | 13 |
| Complexity | 406.5397 |
Chemical Identifiers
| CAS Number | 13183-61-4 |
|---|---|
| SMILES | CSCC1=CC2=CC=CC=C2C=C1 |
Product Overview
Methyl 2-naphthylmethyl sulfide (CAS 13183-61-4), with molecular formula C12H12S and molecular weight 188.07 g/mol. IUPAC: 2-(methylsulfanylmethyl)naphthalene.
Chemical Property Profile of Methyl 2-naphthylmethyl sulfide
Property Insights of Methyl 2-naphthylmethyl sulfide
The XLogP value of 3.7028 indicates that Methyl 2-naphthylmethyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Methyl 2-naphthylmethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-naphthylmethyl sulfide has 0 hydrogen bond donor(s) and 1 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 Methyl 2-naphthylmethyl sulfide?
The CAS number of Methyl 2-naphthylmethyl sulfide is 13183-61-4.
What is the molecular formula of Methyl 2-naphthylmethyl sulfide?
The molecular formula of Methyl 2-naphthylmethyl sulfide is C12H12S.
What is the molecular weight of Methyl 2-naphthylmethyl sulfide?
The molecular weight of Methyl 2-naphthylmethyl sulfide is 188.07 g/mol.
Where can I buy Methyl 2-naphthylmethyl sulfide?
You can request a quote for Methyl 2-naphthylmethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-naphthylmethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-naphthylmethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.