4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide
TL;DR: 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide (CAS 587000-20-2) is a chemical compound with molecular formula C20H17N3S2 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: Salor-int l414212-1ea, 4-Allyl-3-((naphthalen-1-ylmethyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-[(naphthalen-1-ylmethyl)sulfanyl]-4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole, 4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl 1-naphthylmethyl sulfide, 3-(naphthylmethylthio)-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole
| Molecular Formula | C20H17N3S2 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 5.6381 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.0864 |
| Heavy Atoms | 25 |
| Complexity | 997.6484 |
Chemical Identifiers
| CAS Number | 587000-20-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=CS4 |
Product Overview
4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide (CAS 587000-20-2), with molecular formula C20H17N3S2 and molecular weight 363.09 g/mol. IUPAC: 3-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide
Property Insights of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide
The XLogP value of 5.6381 indicates that 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide?
The CAS number of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide is 587000-20-2.
What is the molecular formula of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide?
The molecular formula of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide is C20H17N3S2.
What is the molecular weight of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide?
The molecular weight of 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide is 363.09 g/mol.
Where can I buy 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide?
You can request a quote for 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL 1-naphthylmethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.