![fluoro-methyl-(3-methylbut-2-enyl)[?]thione structure](/static/products/2578/257891-72-8.webp)
fluoro-methyl-(3-methylbut-2-enyl)[?]thione
TL;DR: fluoro-methyl-(3-methylbut-2-enyl)[?]thione (CAS 257891-72-8) is a chemical compound with molecular formula C16H20FN3S and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-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: fluoro-methyl-(3-methylbut-2-enyl)[?]thione, 9-Fluoro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-Fluoro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 9-Fluoro-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,9-fluoro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-
| Molecular Formula | C16H20FN3S |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 4.00829 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.1362 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-72-8 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC=C(C)C)C=C(C=C3NC2=S)F |
Product Overview
fluoro-methyl-(3-methylbut-2-enyl)[?]thione (CAS 257891-72-8), with molecular formula C16H20FN3S and molecular weight 305.14 g/mol. IUPAC: 6-fluoro-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 fluoro-methyl-(3-methylbut-2-enyl)[?]thione
Property Insights of fluoro-methyl-(3-methylbut-2-enyl)[?]thione
The XLogP value of 4.00829 indicates that fluoro-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, fluoro-methyl-(3-methylbut-2-enyl)[?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, fluoro-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 fluoro-methyl-(3-methylbut-2-enyl)[?]thione?
The CAS number of fluoro-methyl-(3-methylbut-2-enyl)[?]thione is 257891-72-8.
What is the molecular formula of fluoro-methyl-(3-methylbut-2-enyl)[?]thione?
The molecular formula of fluoro-methyl-(3-methylbut-2-enyl)[?]thione is C16H20FN3S.
What is the molecular weight of fluoro-methyl-(3-methylbut-2-enyl)[?]thione?
The molecular weight of fluoro-methyl-(3-methylbut-2-enyl)[?]thione is 305.14 g/mol.
Where can I buy fluoro-methyl-(3-methylbut-2-enyl)[?]thione?
You can request a quote for fluoro-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 fluoro-methyl-(3-methylbut-2-enyl)[?]thione?
Yes, KEHONG BIO provides custom synthesis services for fluoro-methyl-(3-methylbut-2-enyl)[?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.