![1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile structure](/static/products/955/95546-95-5.png)
1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
TL;DR: 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile (CAS 95546-95-5) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-sulfanylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
Also Known As: 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile, 1-methyl-3-sulfanylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile, 2H-cyclopenta[c]pyridine-4-carbonitrile, 3,5,6,7-tetrahydro-1-methyl-3-thioxo-, 1-methyl-3-sulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 1-methyl-3-thioxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C10H10N2S |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.41299 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.05647 |
| Heavy Atoms | 13 |
| Complexity | 451.21814 |
Chemical Identifiers
| CAS Number | 95546-95-5 |
|---|---|
| SMILES | CC1=C2CCCC2=C(C(=S)N1)C#N |
Product Overview
1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile (CAS 95546-95-5), with molecular formula C10H10N2S and molecular weight 190.06 g/mol. IUPAC: 1-methyl-3-sulfanylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
Property Insights of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
The XLogP value of 2.41299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile has 1 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-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile?
The CAS number of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile is 95546-95-5.
What is the molecular formula of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular formula of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile is C10H10N2S.
What is the molecular weight of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular weight of 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile is 190.06 g/mol.
Where can I buy 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile?
You can request a quote for 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-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-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.