![8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene structure](/static/products/528/52883-29-1.png)
8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene
TL;DR: 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene (CAS 52883-29-1) is a chemical compound with molecular formula C8H14N2S and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
Also Known As: hexahydro-2-methylthio-1H-benzimidazole, 8-methylthio-7,9-diazabicyclo[4.3.0]non-7-ene, 2-methylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole, 2-(METHYLSULFANYL)-3A,4,5,6,7,7A-HEXAHYDRO-1H-1,3-BENZODIAZOLE
| Molecular Formula | C8H14N2S |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.6198 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.08777 |
| Heavy Atoms | 11 |
| Complexity | 178.93088 |
Chemical Identifiers
| CAS Number | 52883-29-1 |
|---|---|
| SMILES | CSC1=NC2CCCCC2N1 |
Product Overview
8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene (CAS 52883-29-1), with molecular formula C8H14N2S and molecular weight 170.09 g/mol. IUPAC: 2-methylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole.
Chemical Property Profile of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene
Property Insights of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene
The XLogP value of 1.6198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene. With a topological polar surface area (TPSA) of 24.39 Ų, 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene 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 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene?
The CAS number of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene is 52883-29-1.
What is the molecular formula of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene?
The molecular formula of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene is C8H14N2S.
What is the molecular weight of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene?
The molecular weight of 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene is 170.09 g/mol.
Where can I buy 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene?
You can request a quote for 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene?
Yes, KEHONG BIO provides custom synthesis services for 8-Methylthio-7,9-diazabicyclo[4.3.0]non-7-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.