(+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione
TL;DR: (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione (CAS 136723-25-6) is a chemical compound with molecular formula C15H18N2S and molecular weight 258.11908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: TIBO analog, allyl(methyl)[?]thione, (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione, 2H-Azepino(5,4,3-cd)indole-2-thione, 1,2a,3,4,5,6-hexahydro-4-methyl-5-(2-propenyl)-, (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino[5,4,3-cd]indole-2-thione
Technical Specifications
| Molecular Formula | C15H18N2S |
| Molecular Weight | 258.11908 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.11908 Da |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
| SMILES | CC1CC2C3=C(CN1CC=C)C=CC=C3NC2=S |
| InChIKey | VTUNUHGIEDPNGY-UHFFFAOYSA-N |
Chemical Property Profile of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione
Property Insights of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione. With a topological polar surface area (TPSA) of 47.4 Ų, (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione?
The CAS number of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione is 136723-25-6.
What is the molecular formula of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione?
The molecular formula of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione is C15H18N2S.
What is the molecular weight of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione?
The molecular weight of (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione is 258.11908 g/mol.
Where can I buy (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione?
You can request a quote for (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione?
Yes, CoreyChem provides custom synthesis services for (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.