(Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid
TL;DR: (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid (CAS 305861-93-2) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzotriazol-1-yl)-N-phenylbut-2-enethioamide
Also Known As: (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid, (E)-2-(benzotriazol-1-yl)-N-phenylbut-2-enethioamide
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.7316 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 805.2698 |
Chemical Identifiers
| CAS Number | 305861-93-2 |
|---|---|
| SMILES | C/C=C(\C(=S)NC1=CC=CC=C1)/N2C3=CC=CC=C3N=N2 |
Product Overview
(Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid (CAS 305861-93-2), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: (E)-2-(benzotriazol-1-yl)-N-phenylbut-2-enethioamide.
Chemical Property Profile of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid
Property Insights of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid
The XLogP value of 3.7316 indicates that (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid has 1 hydrogen bond donor(s) and 3 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 (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid?
The CAS number of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid is 305861-93-2.
What is the molecular formula of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid?
The molecular formula of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid is C16H14N4S.
What is the molecular weight of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid?
The molecular weight of (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid is 294.09 g/mol.
Where can I buy (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid?
You can request a quote for (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z,2E)-2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylbuta-2-enimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.