5-(Methylthio)thiophene-2-carbonitrile
TL;DR: 5-(Methylthio)thiophene-2-carbonitrile (CAS 175205-78-4) is a chemical compound with molecular formula C6H5NS2 and molecular weight 154.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanylthiophene-2-carbonitrile
Also Known As: 5-(methylthio)thiophene-2-carbonitrile, 5-(methylsulfanyl)thiophene-2-carbonitrile, 5-methylsulfanylthiophene-2-carbonitrile, 2-Thiophenecarbonitrile, 5-(methylthio)-, 2-Thiophenecarbonitrile,5-(methylthio)-
| Molecular Formula | C6H5NS2 |
|---|---|
| Molecular Weight | 154.99 g/mol |
| LogP | 2.34168 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.98634 |
| Heavy Atoms | 9 |
| Complexity | 233.45105 |
Chemical Identifiers
| CAS Number | 175205-78-4 |
|---|---|
| SMILES | CSC1=CC=C(S1)C#N |
Product Overview
5-(Methylthio)thiophene-2-carbonitrile (CAS 175205-78-4), with molecular formula C6H5NS2 and molecular weight 154.99 g/mol. IUPAC: 5-methylsulfanylthiophene-2-carbonitrile.
Chemical Property Profile of 5-(Methylthio)thiophene-2-carbonitrile
Property Insights of 5-(Methylthio)thiophene-2-carbonitrile
The XLogP value of 2.34168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylthio)thiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 5-(Methylthio)thiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Methylthio)thiophene-2-carbonitrile has 0 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 5-(Methylthio)thiophene-2-carbonitrile?
The CAS number of 5-(Methylthio)thiophene-2-carbonitrile is 175205-78-4.
What is the molecular formula of 5-(Methylthio)thiophene-2-carbonitrile?
The molecular formula of 5-(Methylthio)thiophene-2-carbonitrile is C6H5NS2.
What is the molecular weight of 5-(Methylthio)thiophene-2-carbonitrile?
The molecular weight of 5-(Methylthio)thiophene-2-carbonitrile is 154.99 g/mol.
Where can I buy 5-(Methylthio)thiophene-2-carbonitrile?
You can request a quote for 5-(Methylthio)thiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylthio)thiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)thiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.