![S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate structure](/static/products/3708/370869-06-0.webp)
S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate
TL;DR: S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate (CAS 370869-06-0) is a chemical compound with molecular formula C25H20N4OS2 and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate
Also Known As: S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate, 5-(4-methylphenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio) phenothiazin-10-yl ke tone, S-(4-allyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl) 10H-phenothiazine-10-carbothioate, S-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate, [5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl-phenothiazin-10-yl-methanone
| Molecular Formula | C25H20N4OS2 |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 6.95452 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.10785 |
| Heavy Atoms | 32 |
| Complexity | 1268.2838 |
Chemical Identifiers
| CAS Number | 370869-06-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 |
Product Overview
S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate (CAS 370869-06-0), with molecular formula C25H20N4OS2 and molecular weight 456.11 g/mol. IUPAC: S-[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl] phenothiazine-10-carbothioate.
Chemical Property Profile of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate
Property Insights of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate
The XLogP value of 6.95452 indicates that S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate?
The CAS number of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate is 370869-06-0.
What is the molecular formula of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate?
The molecular formula of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate is C25H20N4OS2.
What is the molecular weight of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate?
The molecular weight of S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate is 456.11 g/mol.
Where can I buy S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate?
You can request a quote for S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl] 10H-phenothiazine-10-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.