![3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile structure](/static/products/558/5580-45-0.png)
3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile
TL;DR: 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile (CAS 5580-45-0) is a chemical compound with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carbonitrile
Also Known As: AB00682571-01, 3-amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile, 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carbonitrile, 3-amino-1-thioxo-5,6,7-trihydrocyclopenta[1,2-c]thiin-4-carbonitrile, 3-amino-1-thioxo-1,5,6,7-tetrahydro-2h-cyclopenta[c]thiopyran-4-carbonitrile
| Molecular Formula | C9H8N2S2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0129 |
| Heavy Atoms | 13 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 5580-45-0 |
|---|---|
| SMILES | C1CC2=C(C1)C(=S)SC(=C2C#N)N |
| InChIKey | YLPKLZXPVRQSSN-UHFFFAOYSA-N |
Product Overview
3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile (CAS 5580-45-0), with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol. IUPAC: 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carbonitrile.
Chemical Property Profile of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile
Property Insights of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile has 1 hydrogen bond donor(s) and 4 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 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile?
The CAS number of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile is 5580-45-0.
What is the molecular formula of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile?
The molecular formula of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile is C9H8N2S2.
What is the molecular weight of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile?
The molecular weight of 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile is 208.01 g/mol.
Where can I buy 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile?
You can request a quote for 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.