N-((Methylthio)methyl)-o-anisidine hydrochloride
TL;DR: N-((Methylthio)methyl)-o-anisidine hydrochloride (CAS 98499-60-6) is a chemical compound with molecular formula C9H14ClNOS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl)-(methylsulfanylmethyl)azanium chloride
Also Known As: EFI 87, N-((Methylthio)methyl)-o-anisidine, N-((Methylthio)methyl)-o-anisidine hydrochloride, N-((Metiltio)metil)-o-anisidina cloridrato, N-[(METHYLTHIO)METHYL]-O-ANISIDINE
| Molecular Formula | C9H14ClNOS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.04846 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 98499-60-6 |
|---|---|
| SMILES | COC1=CC=CC=C1[NH2+]CSC.[Cl-] |
| InChIKey | WDCILVUDUWNQNC-UHFFFAOYSA-N |
Product Overview
N-((Methylthio)methyl)-o-anisidine hydrochloride (CAS 98499-60-6), with molecular formula C9H14ClNOS and molecular weight 219.05 g/mol. IUPAC: (2-methoxyphenyl)-(methylsulfanylmethyl)azanium chloride.
Chemical Property Profile of N-((Methylthio)methyl)-o-anisidine hydrochloride
Property Insights of N-((Methylthio)methyl)-o-anisidine hydrochloride
The XLogP value of -1.79 indicates that N-((Methylthio)methyl)-o-anisidine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.1 Ų, N-((Methylthio)methyl)-o-anisidine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((Methylthio)methyl)-o-anisidine hydrochloride has 1 hydrogen bond donor(s) and 3 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 N-((Methylthio)methyl)-o-anisidine hydrochloride?
The CAS number of N-((Methylthio)methyl)-o-anisidine hydrochloride is 98499-60-6.
What is the molecular formula of N-((Methylthio)methyl)-o-anisidine hydrochloride?
The molecular formula of N-((Methylthio)methyl)-o-anisidine hydrochloride is C9H14ClNOS.
What is the molecular weight of N-((Methylthio)methyl)-o-anisidine hydrochloride?
The molecular weight of N-((Methylthio)methyl)-o-anisidine hydrochloride is 219.05 g/mol.
Where can I buy N-((Methylthio)methyl)-o-anisidine hydrochloride?
You can request a quote for N-((Methylthio)methyl)-o-anisidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((Methylthio)methyl)-o-anisidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-((Methylthio)methyl)-o-anisidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.