![5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/380/380433-35-2.png)
5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 380433-35-2) is a chemical compound with molecular formula C27H27N5S and molecular weight 453.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol, (E)-5-(4-(tert-butyl)phenyl)-4-(((9-ethyl-9H-carbazol-3-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(9-ethylcarbazol-3-yl)-1-azavinyl]-5-[4-(tert-butyl)phenyl]-1,2,4-tr iazole-3-thiol, 4-[(9-ethylcarbazol-3-yl)methylideneamino]-5-(4-tert-butylphenyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C27H27N5S |
|---|---|
| Molecular Weight | 453.20 g/mol |
| LogP | 6.91519 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.19873 |
| Heavy Atoms | 33 |
| Complexity | 1542.0352 |
Chemical Identifiers
| CAS Number | 380433-35-2 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C51 |
Product Overview
5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 380433-35-2), with molecular formula C27H27N5S and molecular weight 453.20 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 6.91519 indicates that 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 380433-35-2.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is C27H27N5S.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 453.20 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.