![1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile structure](/static/products/328/328276-45-5.png)
1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile
TL;DR: 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile (CAS 328276-45-5) is a chemical compound with molecular formula C17H14N2S and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile
Also Known As: 1-methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile, 1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile, 1-methyl-2-(phenylthiomethyl)indole-3-carbonitrile, 1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carbonitrile, 1-methyl-2-((phenylthio)methyl)-1H-indole-3-carbonitrile
| Molecular Formula | C17H14N2S |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.08777 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 328276-45-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CSC3=CC=CC=C3)C#N |
| InChIKey | XUTSPRNFWFULEQ-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile (CAS 328276-45-5), with molecular formula C17H14N2S and molecular weight 278.09 g/mol. IUPAC: 1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile.
Chemical Property Profile of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile
Property Insights of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile
The XLogP value of 3.8 indicates that 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile 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-[(phenylthio)methyl]-3-indolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile 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-[(phenylthio)methyl]-3-indolecarbonitrile?
The CAS number of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile is 328276-45-5.
What is the molecular formula of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile?
The molecular formula of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile is C17H14N2S.
What is the molecular weight of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile?
The molecular weight of 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile is 278.09 g/mol.
Where can I buy 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile?
You can request a quote for 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile 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-[(phenylthio)methyl]-3-indolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.