![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 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H21N3S |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 3.86919 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.14563 |
| Heavy Atoms | 20 |
| Complexity | 718.88745 |
Chemical Identifiers
| CAS Number | 136779-93-6 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=S |
Product Overview
methyl(3-methylbut-2-enyl)[?]thione (CAS 136779-93-6), with molecular formula C16H21N3S and molecular weight 287.15 g/mol. IUPAC: 11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione.
Chemical Property Profile of methyl(3-methylbut-2-enyl)[?]thione
Property Insights of methyl(3-methylbut-2-enyl)[?]thione
The XLogP value of 3.86919 indicates that methyl(3-methylbut-2-enyl)[?]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(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
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 287.15 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(3-methylbut-2-enyl)[?]thione?
Yes, KEHONG BIO 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.