![N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine structure](/static/products/6094/60940-35-4.webp)
N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine
TL;DR: N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine (CAS 60940-35-4) is a chemical compound with molecular formula C8H7NSSe and molecular weight 228.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2,1-benzothiaselenol-3-imine
Also Known As: N-methyl-2,1-benzothiaselenol-3-imine, (3Z)-N-Methyl-3H-2,1-benzothiaselenol-3-imine, N-METHYL-8-THIA-9-SELENABICYCLO[4.3.0]NONA-1,3,5-TRIEN-7-IMINE
| Molecular Formula | C8H7NSSe |
|---|---|
| Molecular Weight | 228.95 g/mol |
| LogP | 1.4888 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.94644 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 60940-35-4 |
|---|---|
| SMILES | CN=C1C2=CC=CC=C2[Se]S1 |
| InChIKey | HJGQKVUBJVPTRP-UHFFFAOYSA-N |
Product Overview
N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine (CAS 60940-35-4), with molecular formula C8H7NSSe and molecular weight 228.95 g/mol. IUPAC: N-methyl-2,1-benzothiaselenol-3-imine.
Chemical Property Profile of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine
Property Insights of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine
The XLogP value of 1.4888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine. With a topological polar surface area (TPSA) of 37.7 Ų, N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine has 0 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 N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine?
The CAS number of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine is 60940-35-4.
What is the molecular formula of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine?
The molecular formula of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine is C8H7NSSe.
What is the molecular weight of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine?
The molecular weight of N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine is 228.95 g/mol.
Where can I buy N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine?
You can request a quote for N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-8-thia-9-selenabicyclo[4.3.0]nona-1,3,5-trien-7-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.