1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-
TL;DR: 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- (CAS 3683-95-2) is a chemical compound with molecular formula C6H5BrN4S2 and molecular weight 275.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromo-3-methyl-1,2-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-1h-1,2,4-triazole-3-thiol, 5- -1H-1,2,4-triazole-3-thiol, s-Triazole-3-thiol, 5-(4-bromo-3-methyl-5-isothiazolyl)-, 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-, 3-Mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-1,2,4(H)-triazole
| Molecular Formula | C6H5BrN4S2 |
|---|---|
| Molecular Weight | 275.91 g/mol |
| LogP | 2.66171 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.9139 |
| Heavy Atoms | 13 |
| Complexity | 482.78574 |
Chemical Identifiers
| CAS Number | 3683-95-2 |
|---|---|
| SMILES | CC1=NSC(=C1Br)C2=NC(=S)NN2 |
Product Overview
1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- (CAS 3683-95-2), with molecular formula C6H5BrN4S2 and molecular weight 275.91 g/mol. IUPAC: 5-(4-bromo-3-methyl-1,2-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-
Property Insights of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-
The XLogP value of 2.66171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-. With a topological polar surface area (TPSA) of 57.36 Ų, 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- has 2 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 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-?
The CAS number of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- is 3683-95-2.
What is the molecular formula of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-?
The molecular formula of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- is C6H5BrN4S2.
What is the molecular weight of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-?
The molecular weight of 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- is 275.91 g/mol.
Where can I buy 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-?
You can request a quote for 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4(H)-Triazole, 3-mercapto-5-(4-bromo-3-methylisothiazol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.