![methyl(2-methylallyl)[?]thione structure](/static/products/2578/257891-75-1.webp)
methyl(2-methylallyl)[?]thione
TL;DR: methyl(2-methylallyl)[?]thione (CAS 257891-75-1) is a chemical compound with molecular formula C15H19N3S and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-(2-methylprop-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Also Known As: methyl(2-methylallyl)[?]thione, Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-propenyl)-, 5-Methyl-6-(2-methylprop-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol, 8-Methyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione, Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-propenyl)-
| Molecular Formula | C15H19N3S |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 3.47909 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.12997 |
| Heavy Atoms | 19 |
| Complexity | 694.9689 |
Chemical Identifiers
| CAS Number | 257891-75-1 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC(=C)C)C=CC=C3NC2=S |
Product Overview
methyl(2-methylallyl)[?]thione (CAS 257891-75-1), with molecular formula C15H19N3S and molecular weight 273.13 g/mol. IUPAC: 11-methyl-10-(2-methylprop-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione.
Chemical Property Profile of methyl(2-methylallyl)[?]thione
Property Insights of methyl(2-methylallyl)[?]thione
The XLogP value of 3.47909 indicates that methyl(2-methylallyl)[?]thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.96 Ų, methyl(2-methylallyl)[?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl(2-methylallyl)[?]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
Frequently Asked Questions
What is the CAS number of methyl(2-methylallyl)[?]thione?
The CAS number of methyl(2-methylallyl)[?]thione is 257891-75-1.
What is the molecular formula of methyl(2-methylallyl)[?]thione?
The molecular formula of methyl(2-methylallyl)[?]thione is C15H19N3S.
What is the molecular weight of methyl(2-methylallyl)[?]thione?
The molecular weight of methyl(2-methylallyl)[?]thione is 273.13 g/mol.
Where can I buy methyl(2-methylallyl)[?]thione?
You can request a quote for methyl(2-methylallyl)[?]thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(2-methylallyl)[?]thione?
Yes, KEHONG BIO provides custom synthesis services for methyl(2-methylallyl)[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.