4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 122503-09-7) is a chemical compound with molecular formula C9H9N7S and molecular weight 247.06401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol, 4-amino-3-(benzotriazol-1-ylmethyl)-1H-1,2,4-triazole-5-thione, AO-476/41839747, 4-amino-5-(1H-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol, 5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-amino-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C9H9N7S |
| Molecular Weight | 247.06401 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.06401 Da |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3N |
| InChIKey | HFQSAQYYNLUEKH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol is 122503-09-7.
What is the molecular formula of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol is C9H9N7S.
What is the molecular weight of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol is 247.06401 g/mol.
Where can I buy 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-Amino-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.