4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 488103-56-6) is a chemical compound with molecular formula C13H15BrN4S2 and molecular weight 369.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(((5-BROMO-2-THIENYL)METHYLENE)AMINO)-5-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione, 4-{[(5-bromo-2-thienyl)methylene]amino}-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H15BrN4S2 |
|---|---|
| Molecular Weight | 369.99 g/mol |
| LogP | 4.69459 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.99216 |
| Heavy Atoms | 20 |
| Complexity | 663.9643 |
Chemical Identifiers
| CAS Number | 488103-56-6 |
|---|---|
| SMILES | C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br |
Product Overview
4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol (CAS 488103-56-6), with molecular formula C13H15BrN4S2 and molecular weight 369.99 g/mol. IUPAC: 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.69459 indicates that 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-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 45.97 Ų, 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is 488103-56-6.
What is the molecular formula of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is C13H15BrN4S2.
What is the molecular weight of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol is 369.99 g/mol.
Where can I buy 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-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 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(((5-Bromo-2-thienyl)methylene)amino)-5-cyclohexyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.