![4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile structure](/static/products/508/50820-69-4.png)
4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile
TL;DR: 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile (CAS 50820-69-4) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)acetonitrile
Also Known As: 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile, 4,6,7,8-Tetrahydro-5H-thieno(3,2-c)azepine-5-acetonitrile, (4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepin-5-yl)acetonitrile, 2-(8-thia-3-azabicyclo[5.3.0]deca-9,11-dien-3-yl)acetonitrile, RefChem:285675
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 2.01988 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 323.9109 |
Chemical Identifiers
| CAS Number | 50820-69-4 |
|---|---|
| SMILES | C1CC2=C(CN(C1)CC#N)C=CS2 |
Product Overview
4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile (CAS 50820-69-4), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 2-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)acetonitrile.
Chemical Property Profile of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile
Property Insights of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile
The XLogP value of 2.01988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile 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 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile?
The CAS number of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile is 50820-69-4.
What is the molecular formula of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile?
The molecular formula of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile is C10H12N2S.
What is the molecular weight of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile?
The molecular weight of 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile is 192.07 g/mol.
Where can I buy 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile?
You can request a quote for 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6,7,8-Tetrahydro-5H-thieno[3,2-c]azepine-5-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.