![methyl(3-methylbut-2-enyl)[?]thione structure](/static/products/1367/136779-93-6.webp)
methyl(3-methylbut-2-enyl)[?]thione
TL;DR: methyl(3-methylbut-2-enyl)[?]thione (CAS 136779-93-6) is a chemical compound with molecular formula C16H21N3S and molecular weight 287.14563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: methyl(3-methylbut-2-enyl)[?]thione, R-82150, R 82150, Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (+-)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-thione
Technical Specifications
| Molecular Formula | C16H21N3S |
| Molecular Weight | 287.14563 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.14563 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=S |
| InChIKey | WTTIBCHOELPGFK-UHFFFAOYSA-N |
Chemical Property Profile of methyl(3-methylbut-2-enyl)[?]thione
Property Insights of methyl(3-methylbut-2-enyl)[?]thione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(3-methylbut-2-enyl)[?]thione. With a topological polar surface area (TPSA) of 50.6 Ų, methyl(3-methylbut-2-enyl)[?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(3-methylbut-2-enyl)[?]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 methyl(3-methylbut-2-enyl)[?]thione?
The CAS number of methyl(3-methylbut-2-enyl)[?]thione is 136779-93-6.
What is the molecular formula of methyl(3-methylbut-2-enyl)[?]thione?
The molecular formula of methyl(3-methylbut-2-enyl)[?]thione is C16H21N3S.
What is the molecular weight of methyl(3-methylbut-2-enyl)[?]thione?
The molecular weight of methyl(3-methylbut-2-enyl)[?]thione is 287.14563 g/mol.
Where can I buy methyl(3-methylbut-2-enyl)[?]thione?
You can request a quote for methyl(3-methylbut-2-enyl)[?]thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl(3-methylbut-2-enyl)[?]thione?
Yes, CoreyChem provides custom synthesis services for methyl(3-methylbut-2-enyl)[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.