1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
TL;DR: 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile (CAS 129340-06-3) is a chemical compound with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-1-thiophen-2-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Also Known As: 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile, 3-Mercapto-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-(2-thienyl)-3-thioxo-, 3-sulfanylidene-1-thiophen-2-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile, 1-(2-thienyl)-4-cyano-5,6,7,8-tetrahydro-3(2h)-isoquinolinethione
| Molecular Formula | C14H12N2S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 4.22317 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0442 |
| Heavy Atoms | 18 |
| Complexity | 675.05005 |
Chemical Identifiers
| CAS Number | 129340-06-3 |
|---|---|
| SMILES | C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC=CS3 |
Product Overview
1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile (CAS 129340-06-3), with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol. IUPAC: 3-sulfanylidene-1-thiophen-2-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
Property Insights of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
The XLogP value of 4.22317 indicates that 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile has 1 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 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile?
The CAS number of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile is 129340-06-3.
What is the molecular formula of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile?
The molecular formula of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile is C14H12N2S2.
What is the molecular weight of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile?
The molecular weight of 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile is 272.04 g/mol.
Where can I buy 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile?
You can request a quote for 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-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-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiophen-2-yl-3-thioxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.