![iodo-methyl-(3-methylbut-2-enyl)[?]thione structure](/static/products/2578/257891-69-3.webp)
iodo-methyl-(3-methylbut-2-enyl)[?]thione
TL;DR: iodo-methyl-(3-methylbut-2-enyl)[?]thione (CAS 257891-69-3) is a chemical compound with molecular formula C16H20IN3S and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-iodo-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-2-thione
Also Known As: iodo-methyl-(3-methylbut-2-enyl)[?]thione, Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-iodo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, 8-Iodo-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2-thiol, Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 8-iodo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
| Molecular Formula | C16H20IN3S |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 4.47379 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.04227 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-69-3 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)I)NC2=S |
Product Overview
iodo-methyl-(3-methylbut-2-enyl)[?]thione (CAS 257891-69-3), with molecular formula C16H20IN3S and molecular weight 413.04 g/mol. IUPAC: 7-iodo-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-2-thione.
Chemical Property Profile of iodo-methyl-(3-methylbut-2-enyl)[?]thione
Property Insights of iodo-methyl-(3-methylbut-2-enyl)[?]thione
The XLogP value of 4.47379 indicates that iodo-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, iodo-methyl-(3-methylbut-2-enyl)[?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, iodo-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 iodo-methyl-(3-methylbut-2-enyl)[?]thione?
The CAS number of iodo-methyl-(3-methylbut-2-enyl)[?]thione is 257891-69-3.
What is the molecular formula of iodo-methyl-(3-methylbut-2-enyl)[?]thione?
The molecular formula of iodo-methyl-(3-methylbut-2-enyl)[?]thione is C16H20IN3S.
What is the molecular weight of iodo-methyl-(3-methylbut-2-enyl)[?]thione?
The molecular weight of iodo-methyl-(3-methylbut-2-enyl)[?]thione is 413.04 g/mol.
Where can I buy iodo-methyl-(3-methylbut-2-enyl)[?]thione?
You can request a quote for iodo-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 iodo-methyl-(3-methylbut-2-enyl)[?]thione?
Yes, KEHONG BIO provides custom synthesis services for iodo-methyl-(3-methylbut-2-enyl)[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.