![1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile structure](/static/products/310/310456-75-8.png)
1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile
TL;DR: 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile (CAS 310456-75-8) is a chemical compound with molecular formula C18H16N2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfanylmethyl)-1-methylindole-3-carbonitrile
Also Known As: TimTec1_000207, 2-(benzylsulfanylmethyl)-1-methylindole-3-carbonitrile, BRD-K44650131-001-01-5, 1-methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile, 2-((benzylthio)methyl)-1-methyl-1H-indole-3-carbonitrile
| Molecular Formula | C18H16N2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.10342 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 310456-75-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CSCC3=CC=CC=C3)C#N |
| InChIKey | LCDFVAQNPVHEHP-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile (CAS 310456-75-8), with molecular formula C18H16N2S and molecular weight 292.10 g/mol. IUPAC: 2-(benzylsulfanylmethyl)-1-methylindole-3-carbonitrile.
Chemical Property Profile of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile
Property Insights of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile
The XLogP value of 3.7 indicates that 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile has 0 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-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile?
The CAS number of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile is 310456-75-8.
What is the molecular formula of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile?
The molecular formula of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile is C18H16N2S.
What is the molecular weight of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile?
The molecular weight of 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile is 292.10 g/mol.
Where can I buy 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile?
You can request a quote for 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[(phenylmethylthio)methyl]indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.